smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1CC(=O)[O-]	ZINC000006678538	178348756	/nfs/dbraw/zinc/34/87/56/178348756.db2.gz	MAMSKCKWPPRTFZ-UHFFFAOYSA-N	-2	0	246.266	1.822	50	0		BDAARL
O=C([O-])c1c(F)c(F)c(F)c(F)c1C(=O)[O-]	ZINC000000056519	342671911	/nfs/dbraw/zinc/67/19/11/342671911.db2.gz	YJLVXRPNNDKMMO-UHFFFAOYSA-N	-2	0	238.092	1.639	50	0		BDAARL
COc1cc(C(=O)[O-])cc(Br)c1O	ZINC000001651942	342707113	/nfs/dbraw/zinc/70/71/13/342707113.db2.gz	FGOVBTMEPVEFCJ-UHFFFAOYSA-N	-2	0	247.044	1.862	50	0		BDAARL
O=C([O-])c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000003135723	342730929	/nfs/dbraw/zinc/73/09/29/342730929.db2.gz	FMBZACSQAXLFGC-HTQZYQBOSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])[C@@H]1c2ccccc2C[C@@H]1[P@@H](=O)[O-]	ZINC000013805815	342872158	/nfs/dbraw/zinc/87/21/58/342872158.db2.gz	IJSGOUUQGIZPKE-DTWKUNHWSA-N	-2	0	226.168	1.247	50	0		BDAARL
O=C([O-])c1ccc(C(=O)[O-])c(-n2cccc2)c1	ZINC000019702636	342953960	/nfs/dbraw/zinc/95/39/60/342953960.db2.gz	LXZZEAZJBAQLLB-UHFFFAOYSA-N	-2	0	231.207	1.874	50	0		BDAARL
Cc1cccc([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000041217057	342981656	/nfs/dbraw/zinc/98/16/56/342981656.db2.gz	SXARMPLHLNVUOC-SECBINFHSA-N	-2	0	208.213	1.638	50	0		BDAARL
O=C([O-])c1nc2ccccc2nc1C(=O)[O-]	ZINC000000208097	344638599	/nfs/dbraw/zinc/63/85/99/344638599.db2.gz	CQZDWYYGOZOTHY-UHFFFAOYSA-N	-2	0	218.168	1.026	50	0		BDAARL
O=C([O-])C1CC2C(C1)C1CC(C(=O)[O-])CC21	ZINC000000400264	187301309	/nfs/dbraw/zinc/30/13/09/187301309.db2.gz	YPVLXAFYVLIXFS-UHFFFAOYSA-N	-2	0	224.256	1.454	50	0		BDAARL
CC(=O)c1ccc(Nc2nc([O-])cc(=O)[nH]2)cc1	ZINC000005817138	351068486	/nfs/dbraw/zinc/06/84/86/351068486.db2.gz	VVPFQUBZEMCKOQ-UHFFFAOYSA-N	-2	0	245.238	1.544	50	0		BDAARL
Cc1ccc([S@](=O)[O-])c(C)c1C(=O)[O-]	ZINC000675061824	538488085	/nfs/dbraw/zinc/48/80/85/538488085.db2.gz	PIEMONPRSOQDKE-UHFFFAOYSA-N	-2	0	214.242	1.582	50	0		BDAARL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]12	ZINC000060138444	368379136	/nfs/dbraw/zinc/37/91/36/368379136.db2.gz	FEMXBCRRAJLQAS-AATLWQCWSA-N	-2	0	226.272	1.988	50	0		BDAARL
Cc1ccccc1O/C(=C\C(=O)[O-])C(=O)[O-]	ZINC000208548595	368399519	/nfs/dbraw/zinc/39/95/19/368399519.db2.gz	NAUXWAWDRJZOCN-TWGQIWQCSA-N	-2	0	222.196	1.427	50	0		BDAARL
O=C([O-])CC1(CC(=O)[O-])CCCCC1	ZINC000000157284	383836151	/nfs/dbraw/zinc/83/61/51/383836151.db2.gz	YQPCHPBGAALCRT-UHFFFAOYSA-N	-2	0	200.234	1.886	50	0	in-vitro	BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccccc1F	ZINC000041226116	384182543	/nfs/dbraw/zinc/18/25/43/384182543.db2.gz	KPKJCNYCVCNXTN-SSDOTTSWSA-N	-2	0	212.176	1.469	50	0		BDAARL
Cc1nnc(Nc2ccc(C(=O)[O-])cc2)[n-]c1=O	ZINC000008739835	384216053	/nfs/dbraw/zinc/21/60/53/384216053.db2.gz	GNPSXYPWOCQOSZ-UHFFFAOYSA-N	-2	0	246.226	1.327	50	0		BDAARL
CCc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000039102361	385679720	/nfs/dbraw/zinc/67/97/20/385679720.db2.gz	MPAOWPAATTZDQI-SNVBAGLBSA-N	-2	0	222.240	1.892	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1cccs1	ZINC000022018393	385891179	/nfs/dbraw/zinc/89/11/79/385891179.db2.gz	VYDKFRVOLSJYBG-YFKPBYRVSA-N	-2	0	200.215	1.391	50	0		BDAARL
O=C([O-])CC1(CC(=O)[O-])CCC(C(=O)[O-])CC1	ZINC000004759607	387233588	/nfs/dbraw/zinc/23/35/88/387233588.db2.gz	FJPATRZRCOLKEC-UHFFFAOYSA-N	-3	0	244.243	1.197	50	0		BDAARL
O=C([O-])C1(C(=O)[O-])C23CC=CCC21CC=CC3	ZINC000045071155	387274679	/nfs/dbraw/zinc/27/46/79/387274679.db2.gz	HKWATWKPRZGWOA-UHFFFAOYSA-N	-2	0	234.251	1.828	50	0		BDAARL
CCOc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000004964274	170563153	/nfs/dbraw/zinc/56/31/53/170563153.db2.gz	QAQVLIIHZKSAHT-JTQLQIEISA-N	-2	0	238.239	1.728	50	0		BDAARL
Cc1ccc(OCC(=O)[O-])cc1C(=O)[O-]	ZINC000958527802	644806058	/nfs/dbraw/zinc/80/60/58/644806058.db2.gz	DUEKLSWFGWMXRQ-UHFFFAOYSA-N	-2	0	210.185	1.157	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2CC[C@@H]3[C@H](C(=O)[O-])[C@H]3CC[C@@H]21	ZINC000828468267	968788879	/nfs/dbraw/zinc/78/88/79/968788879.db2.gz	VFVZTBGESJUMCY-IWSVPVBZSA-N	-2	0	224.256	1.454	50	0		BDAARL
O=S(=O)([O-])c1cc(O)c2ccccc2c1	ZINC000001669722	342707850	/nfs/dbraw/zinc/70/78/50/342707850.db2.gz	HKWPUUYEGGDLJF-UHFFFAOYSA-N	-2	0	224.237	1.792	50	0		BDAARL
Cc1[nH]c2ccc(C(=O)[O-])cc2c1CC(=O)[O-]	ZINC000003881816	342738851	/nfs/dbraw/zinc/73/88/51/342738851.db2.gz	WFDFYPLSWRHIPX-UHFFFAOYSA-N	-2	0	233.223	1.802	50	0		BDAARL
O=C([O-])c1ccc(F)c([S@@](=O)[O-])c1	ZINC000039169172	538968850	/nfs/dbraw/zinc/96/88/50/538968850.db2.gz	VPBIIEIZVJIFIE-UHFFFAOYSA-N	-2	0	204.178	1.105	50	0		BDAARL
O=C([O-])c1c(=O)[nH]c2ccccc2c1C(=O)[O-]	ZINC000009042915	187241682	/nfs/dbraw/zinc/24/16/82/187241682.db2.gz	VTPQFYZNFAEAQH-UHFFFAOYSA-N	-2	0	233.179	1.337	50	0	biogenic	BDAARL
O=C([O-])c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000038974333	343380695	/nfs/dbraw/zinc/38/06/95/343380695.db2.gz	AIHHXKBESQKXFV-UHFFFAOYSA-N	-2	0	206.157	1.140	50	0		BDAARL
CC1(C)C[C@H](C(=O)[O-])[C@H](CCC(=O)[O-])CO1	ZINC000000518625	187300386	/nfs/dbraw/zinc/30/03/86/187300386.db2.gz	FJFJDSUKLADSJK-SFYZADRCSA-N	-2	0	230.260	1.367	50	0	biogenic	BDAARL
O=C([O-])Cc1ccnc(C(F)(F)F)c1[O-]	ZINC000238695660	345111555	/nfs/dbraw/zinc/11/15/55/345111555.db2.gz	PSLAVWXGSBPIAT-UHFFFAOYSA-N	-2	0	221.134	1.433	50	0		BDAARL
CC(C)(CC(=O)[O-])[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002145452	187926991	/nfs/dbraw/zinc/92/69/91/187926991.db2.gz	SRXBEKYXSVLAPC-LURJTMIESA-N	-3	0	232.232	1.053	50	0		BDAARL
O=C([O-])C[C@@H](Cc1ccsc1)C(=O)[O-]	ZINC000005949533	355722367	/nfs/dbraw/zinc/72/23/67/355722367.db2.gz	DEZNEPHXNTVFAY-SSDOTTSWSA-N	-2	0	214.242	1.466	50	0		BDAARL
O=C([O-])C12CCC(C(=O)[O-])(CC1)CCC2	ZINC000238682273	356382347	/nfs/dbraw/zinc/38/23/47/356382347.db2.gz	LVQWSNJMAGOMIY-UHFFFAOYSA-N	-2	0	212.245	1.886	50	0		BDAARL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]12	ZINC000060138442	368379755	/nfs/dbraw/zinc/37/97/55/368379755.db2.gz	FEMXBCRRAJLQAS-FIRGSJFUSA-N	-2	0	226.272	1.988	50	0		BDAARL
COC(=S)[N-]c1ccc(C(=O)[O-])cc1	ZINC000148757733	368394582	/nfs/dbraw/zinc/39/45/82/368394582.db2.gz	VCZAEAINMNIWKJ-UHFFFAOYSA-N	-2	0	211.242	1.728	50	0		BDAARL
Cc1cccc(-c2cc(=O)n(CC(=O)[O-])[n-]2)c1	ZINC000067172455	383913102	/nfs/dbraw/zinc/91/31/02/383913102.db2.gz	MVKNSUGVBFVOAS-UHFFFAOYSA-N	-2	0	232.239	1.236	50	0		BDAARL
O=C([O-])C[C@@H](Sc1cccs1)C(=O)[O-]	ZINC000004813653	384150081	/nfs/dbraw/zinc/15/00/81/384150081.db2.gz	XJPYNLPDHCIDDI-RXMQYKEDSA-N	-2	0	232.282	1.768	50	0		BDAARL
COc1cc(C(=O)[O-])c(OC)cc1C(=O)[O-]	ZINC000005356924	174949203	/nfs/dbraw/zinc/94/92/03/174949203.db2.gz	PXSHXQQBOGFGTK-UHFFFAOYSA-N	-2	0	226.184	1.100	50	0		BDAARL
COc1ccccc1[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000041243879	175352873	/nfs/dbraw/zinc/35/28/73/175352873.db2.gz	HKZGQIHZFKTWPN-QMMMGPOBSA-N	-2	0	224.212	1.338	50	0		BDAARL
O=C(c1ccc(O)cc1[O-])c1ccc(O)cc1[O-]	ZINC000000039103	342670738	/nfs/dbraw/zinc/67/07/38/342670738.db2.gz	WXNRYSGJLQFHBR-UHFFFAOYSA-N	-2	0	246.218	1.740	50	0	biogenic,in-vitro	BDAARL
Nc1ccc(C(=O)[O-])c2c(C(=O)[O-])cccc12	ZINC000000070642	342672723	/nfs/dbraw/zinc/67/27/23/342672723.db2.gz	RBLLAHRFLNTVPD-UHFFFAOYSA-N	-2	0	231.207	1.818	50	0		BDAARL
Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/C(=O)[O-]	ZINC000008732333	178442911	/nfs/dbraw/zinc/44/29/11/178442911.db2.gz	GDFJRRCRYWMLBN-SNAWJCMRSA-N	-2	0	249.222	1.273	50	0		BDAARL
O=C([O-])[C@@H]1c2ccccc2C[C@H]1[P@@H](=O)[O-]	ZINC000013805821	342872240	/nfs/dbraw/zinc/87/22/40/342872240.db2.gz	IJSGOUUQGIZPKE-RKDXNWHRSA-N	-2	0	226.168	1.247	50	0		BDAARL
O=C([O-])c1ncc(-c2ccccc2)nc1C(=O)[O-]	ZINC000035572204	187257951	/nfs/dbraw/zinc/25/79/51/187257951.db2.gz	YHNQBRXIQYSNPH-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
O=C([O-])c1c(=O)[nH]c2ccc(Cl)cc2c1[O-]	ZINC000145768659	187299491	/nfs/dbraw/zinc/29/94/91/187299491.db2.gz	UROOLQGJUTVWFE-UHFFFAOYSA-N	-2	0	239.614	1.585	50	0		BDAARL
CC(C)CS[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000002299567	187302282	/nfs/dbraw/zinc/30/22/82/187302282.db2.gz	YDHQINANGZTFLM-LURJTMIESA-N	-2	0	206.263	1.304	50	0		BDAARL
Cc1cc(C=C(C(=O)[O-])C(=O)[O-])oc1C	ZINC000000173073	346401675	/nfs/dbraw/zinc/40/16/75/346401675.db2.gz	TWNSWKNXDDKOJQ-UHFFFAOYSA-N	-2	0	210.185	1.449	50	0		BDAARL
O=C([O-])c1cccc(-c2cnc(C(=O)[O-])nc2)c1	ZINC000675069983	538499284	/nfs/dbraw/zinc/49/92/84/538499284.db2.gz	NRIBROMOMADDGZ-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
O=C([O-])/C=C/c1ccccc1OCC(=O)[O-]	ZINC000020300167	182412735	/nfs/dbraw/zinc/41/27/35/182412735.db2.gz	DWZUEXFXHXSTRQ-AATRIKPKSA-N	-2	0	222.196	1.248	50	0	biogenic	BDAARL
O=C([O-])c1ccc(C(=O)[O-])c(Cl)c1	ZINC000001571070	182564612	/nfs/dbraw/zinc/56/46/12/182564612.db2.gz	ZPXGNBIFHQKREO-UHFFFAOYSA-N	-2	0	200.577	1.736	50	0		BDAARL
O=C([O-])c1ccc(C(=O)[O-])c(Br)c1	ZINC000000056405	182564766	/nfs/dbraw/zinc/56/47/66/182564766.db2.gz	QPBGNSFASPVGTP-UHFFFAOYSA-N	-2	0	245.028	1.846	50	0		BDAARL
O=C([O-])CCCC(=O)CCCC(=O)[O-]	ZINC000001703342	383925335	/nfs/dbraw/zinc/92/53/35/383925335.db2.gz	GTCHZEFRDKAINX-UHFFFAOYSA-N	-2	0	202.206	1.065	50	0		BDAARL
O=C([O-])c1cc(-c2ccc(C(=O)[O-])cc2)on1	ZINC000090686269	384067050	/nfs/dbraw/zinc/06/70/50/384067050.db2.gz	FUWUAFDSPMHYPU-UHFFFAOYSA-N	-2	0	233.179	1.738	50	0		BDAARL
O=C([O-])c1cc(C(F)(F)F)cnc1C(=O)[O-]	ZINC000074942784	384314942	/nfs/dbraw/zinc/31/49/42/384314942.db2.gz	SFGLBMUYPPZUOW-UHFFFAOYSA-N	-2	0	235.117	1.497	50	0		BDAARL
O=C([O-])CCC(=O)c1ccc(C(=O)[O-])cc1	ZINC000015080701	384418132	/nfs/dbraw/zinc/41/81/32/384418132.db2.gz	GEJYPKVVJBZIEE-UHFFFAOYSA-N	-2	0	222.196	1.432	50	0		BDAARL
O=C([O-])CSc1cccc(C(=O)[O-])c1	ZINC000000193042	384990611	/nfs/dbraw/zinc/99/06/11/384990611.db2.gz	VJVWEEPBMVCKCV-UHFFFAOYSA-N	-2	0	212.226	1.562	50	0		BDAARL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]12	ZINC000060138437	385068584	/nfs/dbraw/zinc/06/85/84/385068584.db2.gz	FEMXBCRRAJLQAS-KYXWUPHJSA-N	-2	0	226.272	1.988	50	0		BDAARL
C[C@@H](SCS[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000003132550	176008266	/nfs/dbraw/zinc/00/82/66/176008266.db2.gz	MWRZTYMWLMGRRT-RFZPGFLSSA-N	-2	0	224.303	1.357	50	0		BDAARL
C[C@H](Sc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000001596326	177029263	/nfs/dbraw/zinc/02/92/63/177029263.db2.gz	YTONAIFUSYIRFF-LURJTMIESA-N	-2	0	226.253	1.950	50	0		BDAARL
Cc1ccc(N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000016662572	490315812	/nfs/dbraw/zinc/31/58/12/490315812.db2.gz	YGDMMGDUHBFELF-VIFPVBQESA-N	-2	0	223.228	1.335	50	0		BDAARL
O=C1N=C([O-])C(c2coc3ccccc32)C([O-])=N1	ZINC000002292870	342718232	/nfs/dbraw/zinc/71/82/32/342718232.db2.gz	OQSZFPBFSKOYHT-UHFFFAOYSA-N	-2	0	244.206	1.182	50	0		BDAARL
Cc1oc(C(=O)[O-])cc1CS[C@@H](C)C(=O)[O-]	ZINC000004851309	342753198	/nfs/dbraw/zinc/75/31/98/342753198.db2.gz	ZFVUVKOGJFBIOI-LURJTMIESA-N	-2	0	244.268	1.993	50	0		BDAARL
Cc1oc(C(=O)[O-])cc1CS[C@H](C)C(=O)[O-]	ZINC000004851311	342753312	/nfs/dbraw/zinc/75/33/12/342753312.db2.gz	ZFVUVKOGJFBIOI-ZCFIWIBFSA-N	-2	0	244.268	1.993	50	0		BDAARL
CC[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000005655178	342767786	/nfs/dbraw/zinc/76/77/86/342767786.db2.gz	IKRCKEUYLJBWHG-VIFPVBQESA-N	-2	0	224.212	1.627	50	0		BDAARL
O=C([O-])c1cccc(Br)c1C(=O)[O-]	ZINC000020198570	342976156	/nfs/dbraw/zinc/97/61/56/342976156.db2.gz	OIGFNQRFPUUACU-UHFFFAOYSA-N	-2	0	245.028	1.846	50	0		BDAARL
CC(=C\C(=O)[O-])/C(=C/c1ccco1)C(=O)[O-]	ZINC000004568030	187246855	/nfs/dbraw/zinc/24/68/55/187246855.db2.gz	GMACEYJBIPRXGU-BEDCHXNXSA-N	-2	0	222.196	1.779	50	0		BDAARL
Cc1cc(C)c([S@](=O)[O-])cc1C(=O)[O-]	ZINC000238547496	345074837	/nfs/dbraw/zinc/07/48/37/345074837.db2.gz	AWVVVLBNANXBJR-UHFFFAOYSA-N	-2	0	214.242	1.582	50	0		BDAARL
Nc1ccc(SCC(=O)[O-])c(C(=O)[O-])c1	ZINC000000086717	187300957	/nfs/dbraw/zinc/30/09/57/187300957.db2.gz	FEVBCOFFMNIYBB-UHFFFAOYSA-N	-2	0	227.241	1.144	50	0		BDAARL
O=C([O-])c1cnn(-c2ccccc2)c1C(=O)[O-]	ZINC000034327203	346246013	/nfs/dbraw/zinc/24/60/13/346246013.db2.gz	GIFDWTQSDRMLQA-UHFFFAOYSA-N	-2	0	232.195	1.269	50	0		BDAARL
O=C([O-])CCSc1ccc(C(=O)[O-])cc1	ZINC000008575929	346680007	/nfs/dbraw/zinc/68/00/07/346680007.db2.gz	QTIJRRULPPJHFK-UHFFFAOYSA-N	-2	0	226.253	1.952	50	0		BDAARL
Cc1nn([C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1Cl	ZINC000000281087	180392313	/nfs/dbraw/zinc/39/23/13/180392313.db2.gz	SOUXFVCTLIFDJV-LURJTMIESA-N	-2	0	246.650	1.254	50	0		BDAARL
O=C([O-])/C=C/c1ccc(/C=C\C(=O)[O-])cc1	ZINC000004972290	182415433	/nfs/dbraw/zinc/41/54/33/182415433.db2.gz	AAFXQFIGKBLKMC-CGXWXWIYSA-N	-2	0	218.208	1.882	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1ccccc1F	ZINC000057517252	182431645	/nfs/dbraw/zinc/43/16/45/182431645.db2.gz	BUTAIJSEIBFAIR-UHFFFAOYSA-N	-2	0	226.203	1.859	50	0		BDAARL
O=C([O-])C[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000000291740	182482239	/nfs/dbraw/zinc/48/22/39/182482239.db2.gz	GTOFKXZQQDSVFH-VIFPVBQESA-N	-2	0	208.213	1.405	50	0	endogenous,in-man	BDAARL
O=C([O-])C(=O)C=C([O-])c1ccc(Cl)cc1	ZINC000013800658	384372892	/nfs/dbraw/zinc/37/28/92/384372892.db2.gz	REKRWOUHJMMFBQ-UHFFFAOYSA-N	-2	0	226.615	1.567	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1c[nH]c2ccccc21	ZINC000000141567	385260973	/nfs/dbraw/zinc/26/09/73/385260973.db2.gz	HVTXQEBIPXLXDW-MRVPVSSYSA-N	-2	0	233.223	1.811	50	0	biogenic	BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CC(=O)[O-]	ZINC000019152828	168135111	/nfs/dbraw/zinc/13/51/11/168135111.db2.gz	JTIDZRGQFNZRIR-SNVBAGLBSA-N	-2	0	232.239	1.500	50	0		BDAARL
CCOC(=O)c1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000030834323	170295268	/nfs/dbraw/zinc/29/52/68/170295268.db2.gz	GRCDWYLUYHRELN-UHFFFAOYSA-N	-2	0	238.195	1.260	50	0		BDAARL
C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])c1ccccc1	ZINC000004797961	175625979	/nfs/dbraw/zinc/62/59/79/175625979.db2.gz	MLAWEKSPGNGPNZ-APPZFPTMSA-N	-2	0	208.213	1.576	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@H]3[C@H]2[C@@H]2[C@@H]1C=C[C@@H]2[C@@H]3C(=O)[O-]	ZINC000247379320	323238937	/nfs/dbraw/zinc/23/89/37/323238937.db2.gz	IWODBGOLHQAYHC-TVBNVHSDSA-N	-2	0	246.262	1.252	50	0		BDAARL
O=S(=O)([O-])c1ccc([S-])c2ncccc12	ZINC000002566827	342724535	/nfs/dbraw/zinc/72/45/35/342724535.db2.gz	PQQNQBAMHUJCEV-UHFFFAOYSA-N	-2	0	241.293	1.770	50	0		BDAARL
Cc1c(C(=O)[O-])sc2[n-]c(=S)[nH]c(=O)c12	ZINC000003947335	342739625	/nfs/dbraw/zinc/73/96/25/342739625.db2.gz	RPWJHLNLHJSVDL-UHFFFAOYSA-N	-2	0	242.281	1.654	50	0		BDAARL
CCN(CC(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000005927438	346633286	/nfs/dbraw/zinc/63/32/86/346633286.db2.gz	HWURWIWEIFEWDZ-UHFFFAOYSA-N	-2	0	223.228	1.296	50	0		BDAARL
Cc1ccccc1C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000005009762	179291930	/nfs/dbraw/zinc/29/19/30/179291930.db2.gz	WFWVINOHIVDSEV-SNVBAGLBSA-N	-2	0	222.240	1.713	50	0		BDAARL
O=C([O-])c1ccccc1Nc1nc(O)cs1	ZINC000016789968	362933848	/nfs/dbraw/zinc/93/38/48/362933848.db2.gz	OLGRCFTYVAOPAX-UHFFFAOYSA-N	-2	0	236.252	1.426	50	0		BDAARL
O=C([O-])c1cc(F)cc([S@](=O)[O-])c1	ZINC000675060693	541464324	/nfs/dbraw/zinc/46/43/24/541464324.db2.gz	HDPIYRASZKMBRQ-UHFFFAOYSA-N	-2	0	204.178	1.105	50	0		BDAARL
CCCCCCC1C(=O)NC(=S)N=C1[O-]	ZINC000002485749	371558653	/nfs/dbraw/zinc/55/86/53/371558653.db2.gz	WRWZPPVSZOQUKT-UHFFFAOYSA-N	-2	0	228.317	1.104	50	0		BDAARL
O=C([O-])C[P@@](=O)([O-])c1ccc(Cl)cc1	ZINC000000255024	383848934	/nfs/dbraw/zinc/84/89/34/383848934.db2.gz	QCEDYFLLECDYKF-UHFFFAOYSA-N	-2	0	234.575	1.320	50	0		BDAARL
O=C([O-])C[P@](=O)([O-])CCc1ccccc1	ZINC000020102335	384575574	/nfs/dbraw/zinc/57/55/74/384575574.db2.gz	IHJCJVSDTXBLBL-UHFFFAOYSA-N	-2	0	228.184	1.584	50	0		BDAARL
CC(C)Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000005137092	167290727	/nfs/dbraw/zinc/29/07/27/167290727.db2.gz	CUNBYXZSJMRSFG-UHFFFAOYSA-N	-2	0	224.212	1.870	50	0		BDAARL
COc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000259635	175190597	/nfs/dbraw/zinc/19/05/97/175190597.db2.gz	SPOXAJHVFXSERN-VIFPVBQESA-N	-2	0	224.212	1.338	50	0	biogenic	BDAARL
CC(C)(C)[C@@H](CCC(=O)[O-])CC(=O)[O-]	ZINC000002163734	342716517	/nfs/dbraw/zinc/71/65/17/342716517.db2.gz	LHSCNQRBIIDZCB-ZETCQYMHSA-N	-2	0	202.250	1.988	50	0		BDAARL
O=C([O-])c1cc(C(=O)[O-])n(Cc2ccccc2)n1	ZINC000002519565	342722293	/nfs/dbraw/zinc/72/22/93/342722293.db2.gz	CNEVJOOKMFYKCN-UHFFFAOYSA-N	-2	0	246.222	1.328	50	0		BDAARL
Cc1ccc(N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000016662574	490315561	/nfs/dbraw/zinc/31/55/61/490315561.db2.gz	YGDMMGDUHBFELF-SECBINFHSA-N	-2	0	223.228	1.335	50	0		BDAARL
Cc1nn([C@H](CC(=O)[O-])C(=O)[O-])c(C)c1Cl	ZINC000000281090	180393405	/nfs/dbraw/zinc/39/34/05/180393405.db2.gz	SOUXFVCTLIFDJV-ZCFIWIBFSA-N	-2	0	246.650	1.254	50	0		BDAARL
O=C([O-])c1cc2[nH]c(=O)sc2c(C(=O)[O-])c1	ZINC000004211587	372171495	/nfs/dbraw/zinc/17/14/95/372171495.db2.gz	MIHKSHCVVRNWJH-UHFFFAOYSA-N	-2	0	239.208	1.398	50	0		BDAARL
O=C([O-])Cn1cc(C(=O)[O-])c2ccccc21	ZINC000044199251	386383721	/nfs/dbraw/zinc/38/37/21/386383721.db2.gz	FTHYKJMEZZBLEB-UHFFFAOYSA-N	-2	0	219.196	1.424	50	0		BDAARL
CC(C)(C)OC(=O)N=c1s[n-]nc1C(=O)[O-]	ZINC000074941998	398211066	/nfs/dbraw/zinc/21/10/66/398211066.db2.gz	WYKTXOLUZGWCFQ-UHFFFAOYSA-N	-2	0	245.260	1.583	50	0		BDAARL
COc1cc(CC(=O)[O-])c(C(=O)[O-])cc1OC	ZINC000000176047	342679306	/nfs/dbraw/zinc/67/93/06/342679306.db2.gz	NOUUHGZLGUYQON-UHFFFAOYSA-N	-2	0	240.211	1.029	50	0	biogenic	BDAARL
O=C([O-])c1cc2ccc(C(=O)[O-])cc2[nH]1	ZINC000002384034	342719481	/nfs/dbraw/zinc/71/94/81/342719481.db2.gz	WXXRCNKKYCNYFF-UHFFFAOYSA-N	-2	0	205.169	1.564	50	0		BDAARL
O=C([O-])c1ncn(Cc2ccccc2)c1C(=O)[O-]	ZINC000000359821	344727189	/nfs/dbraw/zinc/72/71/89/344727189.db2.gz	MMNLMFUDZWLQBY-UHFFFAOYSA-N	-2	0	246.222	1.328	50	0		BDAARL
CCc1c(CC)c(C(=O)[O-])[nH]c1C(=O)[O-]	ZINC000002519456	346509867	/nfs/dbraw/zinc/50/98/67/346509867.db2.gz	KQVHHECOLHYXDH-UHFFFAOYSA-N	-2	0	211.217	1.536	50	0		BDAARL
C[C@H](C(=O)[O-])[C@H](C(=O)[O-])c1ccccc1	ZINC000004797955	346607601	/nfs/dbraw/zinc/60/76/01/346607601.db2.gz	MLAWEKSPGNGPNZ-CBAPKCEASA-N	-2	0	208.213	1.576	50	0		BDAARL
C[C@@H](C(=O)[O-])[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000004825706	346608289	/nfs/dbraw/zinc/60/82/89/346608289.db2.gz	ZVAMSWXABJPVQH-QPUJVOFHSA-N	-2	0	222.240	1.750	50	0		BDAARL
O=C([O-])c1cc(C(F)(F)F)cc(C(=O)[O-])n1	ZINC000022873129	350152221	/nfs/dbraw/zinc/15/22/21/350152221.db2.gz	ZHYFFUAZFUFJRT-UHFFFAOYSA-N	-2	0	235.117	1.497	50	0		BDAARL
C/C(C(=O)[O-])=C(/C(=O)[O-])c1ccccc1	ZINC000113233182	368341323	/nfs/dbraw/zinc/34/13/23/368341323.db2.gz	WMYRVJWWRBMLMI-CLFYSBASSA-N	-2	0	206.197	1.629	50	0		BDAARL
O=C([O-])CSc1n[n-]c(=S)s1	ZINC000002028876	182473878	/nfs/dbraw/zinc/47/38/78/182473878.db2.gz	UJBXVTJYSIDCIE-UHFFFAOYSA-N	-2	0	208.289	1.004	50	0		BDAARL
O=C([O-])c1cc(Br)cnc1C(=O)[O-]	ZINC000034568828	182553896	/nfs/dbraw/zinc/55/38/96/182553896.db2.gz	WDDREAGLVSBXOG-UHFFFAOYSA-N	-2	0	246.016	1.241	50	0		BDAARL
O=C([O-])c1ccccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000002562131	182581582	/nfs/dbraw/zinc/58/15/82/182581582.db2.gz	FMBZACSQAXLFGC-YUMQZZPRSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])CCCNc1ccccc1C(=O)[O-]	ZINC000002090407	383949376	/nfs/dbraw/zinc/94/93/76/383949376.db2.gz	MSAWNXGCKNRHPY-UHFFFAOYSA-N	-2	0	223.228	1.662	50	0	biogenic	BDAARL
O=C([O-])Cn1c(C(=O)[O-])cc2sccc21	ZINC000005131697	384101837	/nfs/dbraw/zinc/10/18/37/384101837.db2.gz	YXVMKEDJPPRREX-UHFFFAOYSA-N	-2	0	225.225	1.486	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccccc1F	ZINC000041226118	384183630	/nfs/dbraw/zinc/18/36/30/384183630.db2.gz	KPKJCNYCVCNXTN-ZETCQYMHSA-N	-2	0	212.176	1.469	50	0		BDAARL
O=C([O-])/C=C\c1ccc(/C=C\C(=O)[O-])cc1	ZINC000016951469	384476858	/nfs/dbraw/zinc/47/68/58/384476858.db2.gz	AAFXQFIGKBLKMC-SFECMWDFSA-N	-2	0	218.208	1.882	50	0		BDAARL
CC(C)C1=CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000004863042	166755632	/nfs/dbraw/zinc/75/56/32/166755632.db2.gz	OAKIBDGEEQFWHU-RKDXNWHRSA-N	-2	0	212.245	1.764	50	0		BDAARL
COc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)cc1	ZINC000036075273	175044869	/nfs/dbraw/zinc/04/48/69/175044869.db2.gz	MFYWQWBGPVYEKU-UHFFFAOYSA-N	-2	0	234.211	1.285	50	0		BDAARL
COc1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000000050928	175069732	/nfs/dbraw/zinc/06/97/32/175069732.db2.gz	LJLKATTUJLTMDE-UHFFFAOYSA-N	-2	0	238.239	1.728	50	0	biogenic	BDAARL
C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000006442692	176009758	/nfs/dbraw/zinc/00/97/58/176009758.db2.gz	YTONAIFUSYIRFF-ZCFIWIBFSA-N	-2	0	226.253	1.950	50	0		BDAARL
C[C@@H]1CCC(CC(=O)[O-])(CC(=O)[O-])C1	ZINC000004759603	176061875	/nfs/dbraw/zinc/06/18/75/176061875.db2.gz	NSIWGWOIAUQJFI-SSDOTTSWSA-N	-2	0	200.234	1.742	50	0		BDAARL
C[C@@](CC(=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000004122119	176509260	/nfs/dbraw/zinc/50/92/60/176509260.db2.gz	ZQVXSSDWCRHKPX-NSHDSACASA-N	-2	0	208.213	1.504	50	0	in-vitro	BDAARL
Cc1ccc(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000116346788	582825514	/nfs/dbraw/zinc/82/55/14/582825514.db2.gz	ANIGAFMHMXGIOX-UHFFFAOYSA-N	-2	0	200.215	1.274	50	0		BDAARL
O=C([O-])c1ccc(Cl)cc1C(=O)[O-]	ZINC000000133154	342676249	/nfs/dbraw/zinc/67/62/49/342676249.db2.gz	DVIPPHSQIBKWSA-UHFFFAOYSA-N	-2	0	200.577	1.736	50	0		BDAARL
CCc1ccc(C=C(C(=O)[O-])C(=O)[O-])s1	ZINC000000192779	342679748	/nfs/dbraw/zinc/67/97/48/342679748.db2.gz	RHEPESULEWGSMM-UHFFFAOYSA-N	-2	0	226.253	1.863	50	0		BDAARL
O=C([O-])c1cc(F)c(F)cc1C(=O)[O-]	ZINC000000346796	342684375	/nfs/dbraw/zinc/68/43/75/342684375.db2.gz	FFSBOABNRUJQFW-UHFFFAOYSA-N	-2	0	202.112	1.361	50	0		BDAARL
O=C([O-])C(CCCOc1ccccc1)C(=O)[O-]	ZINC000006581445	342779809	/nfs/dbraw/zinc/77/98/09/342779809.db2.gz	NEAQOUUTPBNYKV-UHFFFAOYSA-N	-2	0	238.239	1.631	50	0		BDAARL
S=c1[n-]nc(CCCc2n[n-]c(=S)o2)o1	ZINC000013532571	342867294	/nfs/dbraw/zinc/86/72/94/342867294.db2.gz	XQFRUIPQODDPMN-UHFFFAOYSA-N	-2	0	244.301	1.205	50	0		BDAARL
CC1(C)[C@@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]	ZINC000000080846	187244123	/nfs/dbraw/zinc/24/41/23/187244123.db2.gz	LSPHULWDVZXLIL-LHLIQPBNSA-N	-2	0	200.234	1.598	50	0	endogenous,in-man	BDAARL
O=C([O-])C(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000000392338	383861004	/nfs/dbraw/zinc/86/10/04/383861004.db2.gz	PJDWEIFODWCDAV-UHFFFAOYSA-N	-2	0	238.283	1.988	50	0		BDAARL
C[C@@H]1[C@@H](C(=O)[O-])C[C@@H](C(=O)[O-])C1(C)C	ZINC000003681410	384022849	/nfs/dbraw/zinc/02/28/49/384022849.db2.gz	VWSICSGXUBUSMN-VQVTYTSYSA-N	-2	0	200.234	1.454	50	0		BDAARL
O=C([O-])C(=C/C=C\c1ccccc1)C(=O)[O-]	ZINC000004787063	384081329	/nfs/dbraw/zinc/08/13/29/384081329.db2.gz	BLPUXJIIRIWMSQ-DAXSKMNVSA-N	-2	0	218.208	1.795	50	0		BDAARL
O=C([O-])C[C@H](Sc1cccs1)C(=O)[O-]	ZINC000004813650	385310496	/nfs/dbraw/zinc/31/04/96/385310496.db2.gz	XJPYNLPDHCIDDI-YFKPBYRVSA-N	-2	0	232.282	1.768	50	0		BDAARL
CC1=CC(C)(C)[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000000054324	168093317	/nfs/dbraw/zinc/09/33/17/168093317.db2.gz	FXRAOARZHSCPPN-SFYZADRCSA-N	-2	0	212.245	1.764	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)[O-]	ZINC000017969073	168135193	/nfs/dbraw/zinc/13/51/93/168135193.db2.gz	WQZAQXPOIZJOJL-LLVKDONJSA-N	-2	0	246.266	1.890	50	0		BDAARL
COc1cccc([C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000000392950	175288007	/nfs/dbraw/zinc/28/80/07/175288007.db2.gz	DFRXNLZHJFZSSL-SECBINFHSA-N	-2	0	224.212	1.338	50	0		BDAARL
C[C@@H]1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])C[C@@H]1C	ZINC000004321961	177309555	/nfs/dbraw/zinc/30/95/55/177309555.db2.gz	NSVFQYRNBOFQMT-SOSBWXJGSA-N	-2	0	200.234	1.454	50	0		BDAARL
O=C([O-])c1ccc(N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000082714084	487721848	/nfs/dbraw/zinc/72/18/48/487721848.db2.gz	QJCGFVZRWYYKDM-SNVBAGLBSA-N	-2	0	249.266	1.686	50	0		BDAARL
O=C([O-])C(=O)c1ccc([O-])c(C(F)(F)F)c1	ZINC000258268420	631418601	/nfs/dbraw/zinc/41/86/01/631418601.db2.gz	WDAIUNLPLXJZBZ-UHFFFAOYSA-N	-2	0	234.129	1.678	50	0		BDAARL
Cc1c(C(=O)[O-])c(C(=O)[O-])c2n1CCS2	ZINC000000149964	342677000	/nfs/dbraw/zinc/67/70/00/342677000.db2.gz	FOBCTCMUELFDTM-UHFFFAOYSA-N	-2	0	227.241	1.299	50	0		BDAARL
O=C([O-])c1cc(C(=O)[O-])c(Cl)nc1Cl	ZINC000000343405	342684111	/nfs/dbraw/zinc/68/41/11/342684111.db2.gz	TXJMUXYEEVSJQV-UHFFFAOYSA-N	-2	0	236.010	1.785	50	0		BDAARL
O=C([O-])c1cc(Cl)cc(C(=O)[O-])n1	ZINC000001733367	342711588	/nfs/dbraw/zinc/71/15/88/342711588.db2.gz	IYUMNONNHYADBU-UHFFFAOYSA-N	-2	0	201.565	1.131	50	0		BDAARL
Cn1cc([C@@H](CC(=O)[O-])C(=O)[O-])c2ccccc21	ZINC000003999633	342740512	/nfs/dbraw/zinc/74/05/12/342740512.db2.gz	ZJEBCRUNWSUUJA-SECBINFHSA-N	-2	0	247.250	1.821	50	0	biogenic	BDAARL
CC[C@H](Sc1ncccc1C(=O)[O-])C(=O)[O-]	ZINC000005059360	342757442	/nfs/dbraw/zinc/75/74/42/342757442.db2.gz	BDUZHLLXDWNLSX-ZETCQYMHSA-N	-2	0	241.268	1.735	50	0		BDAARL
O=C([O-])c1cc(F)c([O-])c(Br)c1	ZINC000211753720	343077263	/nfs/dbraw/zinc/07/72/63/343077263.db2.gz	NOWZCCJKXCSYKW-UHFFFAOYSA-N	-2	0	235.008	1.992	50	0		BDAARL
O=C([O-])c1cc(N=Nc2nnn[n-]2)ccc1O	ZINC000022203965	343271911	/nfs/dbraw/zinc/27/19/11/343271911.db2.gz	HTXJWKVGEDTQMK-MDZDMXLPSA-N	-2	0	234.175	1.019	50	0		BDAARL
CC12[C@@H](C(=O)[O-])C1(c1ccccc1)[C@@H]2C(=O)[O-]	ZINC000000405025	188099423	/nfs/dbraw/zinc/09/94/23/188099423.db2.gz	BXHRTRVZIKDPAV-ACXUVZMJSA-N	-2	0	232.235	1.360	50	0		BDAARL
O=C([O-])c1cc([S@](=O)[O-])cc(F)c1Cl	ZINC000675061478	538487998	/nfs/dbraw/zinc/48/79/98/538487998.db2.gz	YXMWUUCKWDPZMA-UHFFFAOYSA-N	-2	0	238.623	1.758	50	0		BDAARL
O=C([O-])CCSCSCCC(=O)[O-]	ZINC000002027393	182449510	/nfs/dbraw/zinc/44/95/10/182449510.db2.gz	KAHUZKHNNDOJNT-UHFFFAOYSA-N	-2	0	224.303	1.360	50	0		BDAARL
O=C([O-])c1cc(=O)c2ccc([O-])cc2o1	ZINC000013543148	182552742	/nfs/dbraw/zinc/55/27/42/182552742.db2.gz	QLJYPGSMODXQON-UHFFFAOYSA-N	-2	0	206.153	1.197	50	0		BDAARL
COc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000259631	383848138	/nfs/dbraw/zinc/84/81/38/383848138.db2.gz	SPOXAJHVFXSERN-SECBINFHSA-N	-2	0	224.212	1.338	50	0	biogenic	BDAARL
O=C([O-])CCSc1ccccc1C(=O)[O-]	ZINC000000133975	383833748	/nfs/dbraw/zinc/83/37/48/383833748.db2.gz	NDKGQQDWNLMZND-UHFFFAOYSA-N	-2	0	226.253	1.952	50	0		BDAARL
O=C([O-])C[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000039255378	384906314	/nfs/dbraw/zinc/90/63/14/384906314.db2.gz	LUVIQIGKOIMWIG-GFCCVEGCSA-N	-2	0	220.224	1.430	50	0		BDAARL
O=C([O-])CCNc1ccc(C(=O)[O-])cc1	ZINC000004371972	386555639	/nfs/dbraw/zinc/55/56/39/386555639.db2.gz	HTHYQFCJTZRJIH-UHFFFAOYSA-N	-2	0	209.201	1.271	50	0		BDAARL
C[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@H]1C	ZINC000248159430	387137375	/nfs/dbraw/zinc/13/73/75/387137375.db2.gz	NSVFQYRNBOFQMT-NGJRWZKOSA-N	-2	0	200.234	1.454	50	0		BDAARL
CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	ZINC000000080853	168004823	/nfs/dbraw/zinc/00/48/23/168004823.db2.gz	LSPHULWDVZXLIL-WKEGUHRASA-N	-2	0	200.234	1.598	50	0	endogenous,in-man	BDAARL
CC1=CC(C)(C)[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000000054321	168093185	/nfs/dbraw/zinc/09/31/85/168093185.db2.gz	FXRAOARZHSCPPN-JGVFFNPUSA-N	-2	0	212.245	1.764	50	0		BDAARL
C[C@H](SCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000003132548	177026790	/nfs/dbraw/zinc/02/67/90/177026790.db2.gz	MWRZTYMWLMGRRT-WHFBIAKZSA-N	-2	0	224.303	1.357	50	0		BDAARL
COc1ccccc1O/C(=C/C(=O)[O-])C(=O)[O-]	ZINC000252487844	524652239	/nfs/dbraw/zinc/65/22/39/524652239.db2.gz	ICINKPCFYJQJJL-RMKNXTFCSA-N	-2	0	238.195	1.127	50	0		BDAARL
O=C([O-])COc1ccc(Cl)c(C(=O)[O-])c1	ZINC000197376284	963453765	/nfs/dbraw/zinc/45/37/65/963453765.db2.gz	IUVWBGALESQXLB-UHFFFAOYSA-N	-2	0	230.603	1.502	50	0		BDAARL
Cc1cc(CC(=O)[O-])c(C)cc1CC(=O)[O-]	ZINC000004338638	177960129	/nfs/dbraw/zinc/96/01/29/177960129.db2.gz	KHLBVGJKSPRIHX-UHFFFAOYSA-N	-2	0	222.240	1.558	50	0		BDAARL
O=C([O-])c1cc([S@@](=O)[O-])c(F)cc1Cl	ZINC000039042323	537875389	/nfs/dbraw/zinc/87/53/89/537875389.db2.gz	CMLOVYXBNJDKEF-UHFFFAOYSA-N	-2	0	238.623	1.758	50	0		BDAARL
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1CC(=O)[O-]	ZINC000006678576	179001008	/nfs/dbraw/zinc/00/10/08/179001008.db2.gz	SJNYDJCKGXFGKU-UHFFFAOYSA-N	-2	0	246.266	1.822	50	0		BDAARL
Cc1cccc([C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000041217059	179199099	/nfs/dbraw/zinc/19/90/99/179199099.db2.gz	SXARMPLHLNVUOC-VIFPVBQESA-N	-2	0	208.213	1.638	50	0		BDAARL
Cc1nc2ccccc2c(C(=O)[O-])c1C(=O)[O-]	ZINC000000053704	180101084	/nfs/dbraw/zinc/10/10/84/180101084.db2.gz	BQGFRFCKVQNHEC-UHFFFAOYSA-N	-2	0	231.207	1.940	50	0	biogenic,in-vitro	BDAARL
O=C([O-])C12CC=CCC1(C(=O)[O-])CC=CC2	ZINC000001662591	188159709	/nfs/dbraw/zinc/15/97/09/188159709.db2.gz	NXUJTEIDSOQKGW-UHFFFAOYSA-N	-2	0	222.240	1.828	50	0		BDAARL
O=C([O-])C(C/C=C/c1ccccc1)C(=O)[O-]	ZINC000071789357	374291632	/nfs/dbraw/zinc/29/16/32/374291632.db2.gz	ACMBWQZDJBIYPJ-QPJJXVBHSA-N	-2	0	220.224	1.875	50	0		BDAARL
O=C([O-])c1cc(C(=O)[O-])c(F)c(F)c1F	ZINC000075852200	182553952	/nfs/dbraw/zinc/55/39/52/182553952.db2.gz	OGRHARIOWRXNOT-UHFFFAOYSA-N	-2	0	220.102	1.500	50	0		BDAARL
O=C([O-])C/C(=C\c1ccccc1)C(=O)[O-]	ZINC000000337085	383856467	/nfs/dbraw/zinc/85/64/67/383856467.db2.gz	KYILORDWJFEQBS-RMKNXTFCSA-N	-2	0	206.197	1.629	50	0	biogenic,in-vitro	BDAARL
O=C([O-])C(Cc1cccs1)C(=O)[O-]	ZINC000001671208	383920119	/nfs/dbraw/zinc/92/01/19/383920119.db2.gz	PGGOEUVKDHKGKQ-UHFFFAOYSA-N	-2	0	200.215	1.076	50	0	in-vitro	BDAARL
O=C([O-])Cn1c(C(=O)[O-])cc2ccccc21	ZINC000002489367	383965850	/nfs/dbraw/zinc/96/58/50/383965850.db2.gz	IQFBBTYFQVXXDT-UHFFFAOYSA-N	-2	0	219.196	1.424	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1ccccn1	ZINC000014987938	384411923	/nfs/dbraw/zinc/41/19/23/384411923.db2.gz	IYKCUIFYTXYMRX-UHFFFAOYSA-N	-2	0	209.201	1.115	50	0		BDAARL
O=C([O-])CC[C@]1(CC(=O)[O-])CCCC(=O)C1	ZINC000043198718	323236769	/nfs/dbraw/zinc/23/67/69/323236769.db2.gz	QRQDKZDAGNETMC-LLVKDONJSA-N	-2	0	228.244	1.455	50	0		BDAARL
COc1c(OC)c(C(=O)[O-])sc1C(=O)[O-]	ZINC000000133019	342676452	/nfs/dbraw/zinc/67/64/52/342676452.db2.gz	VJPALIAORYSTKL-UHFFFAOYSA-N	-2	0	232.213	1.162	50	0		BDAARL
O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2O)N1	ZINC000004181235	398328876	/nfs/dbraw/zinc/32/88/76/398328876.db2.gz	MTRZKJJPKVYORW-DAXSKMNVSA-N	-2	0	238.630	1.226	50	0		BDAARL
O=C([O-])CCNc1ccccc1C(=O)[O-]	ZINC000000167997	398331980	/nfs/dbraw/zinc/33/19/80/398331980.db2.gz	IMRIVMODOMQPRR-UHFFFAOYSA-N	-2	0	209.201	1.271	50	0	biogenic,in-vitro	BDAARL
O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1	ZINC000034049460	343263911	/nfs/dbraw/zinc/26/39/11/343263911.db2.gz	DASAXWLMIWDYLQ-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
Cc1nc(NCCCC(=O)[O-])sc1C(=O)[O-]	ZINC000058173206	180017695	/nfs/dbraw/zinc/01/76/95/180017695.db2.gz	JJXZMMTVIORSPX-UHFFFAOYSA-N	-2	0	244.272	1.426	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)[O-]	ZINC000100117658	180331281	/nfs/dbraw/zinc/33/12/81/180331281.db2.gz	LLUHBMJAWWYLPE-UHFFFAOYSA-N	-2	0	246.266	1.904	50	0		BDAARL
CC(=C/C(=O)[O-])/C(=C\c1ccco1)C(=O)[O-]	ZINC000005663295	187470678	/nfs/dbraw/zinc/47/06/78/187470678.db2.gz	GMACEYJBIPRXGU-XCZNYUDNSA-N	-2	0	222.196	1.779	50	0		BDAARL
CC(=C/C(=O)[O-])/C(=C/c1ccco1)C(=O)[O-]	ZINC000005685557	188157779	/nfs/dbraw/zinc/15/77/79/188157779.db2.gz	GMACEYJBIPRXGU-BSIYMUDXSA-N	-2	0	222.196	1.779	50	0		BDAARL
C[C@@H]1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C[C@H]1C	ZINC000008536310	368371630	/nfs/dbraw/zinc/37/16/30/368371630.db2.gz	NSVFQYRNBOFQMT-WCTZXXKLSA-N	-2	0	200.234	1.454	50	0		BDAARL
O=C([O-])/C=C/c1ccc(/C=C/C(=O)[O-])cc1	ZINC000000225518	383845800	/nfs/dbraw/zinc/84/58/00/383845800.db2.gz	AAFXQFIGKBLKMC-KQQUZDAGSA-N	-2	0	218.208	1.882	50	0	biogenic	BDAARL
O=C([O-])CSC(=S)[N-]c1cccnc1	ZINC000004139183	388392042	/nfs/dbraw/zinc/39/20/42/388392042.db2.gz	OLLRPHHBOUVMQA-UHFFFAOYSA-N	-2	0	228.298	1.596	50	0		BDAARL
O=C([O-])CN(CC(=O)[O-])c1ccc(Cl)cc1	ZINC000000051573	388798852	/nfs/dbraw/zinc/79/88/52/388798852.db2.gz	WMBYHFQQLOEIHJ-UHFFFAOYSA-N	-2	0	243.646	1.316	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)[O-]	ZINC000100001572	168135478	/nfs/dbraw/zinc/13/54/78/168135478.db2.gz	WQZAQXPOIZJOJL-NSHDSACASA-N	-2	0	246.266	1.890	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2CC[C@H]3[C@H](C(=O)[O-])[C@H]3CC[C@@H]21	ZINC000828468269	968789398	/nfs/dbraw/zinc/78/93/98/968789398.db2.gz	VFVZTBGESJUMCY-IZYATODESA-N	-2	0	224.256	1.454	50	0		BDAARL
Cc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)cc1	ZINC000020134349	178345332	/nfs/dbraw/zinc/34/53/32/178345332.db2.gz	UQTYFQPJMSJTOW-UHFFFAOYSA-N	-2	0	218.212	1.172	50	0		BDAARL
O=C([O-])CC[P@@](=O)([O-])[C@H](O)c1ccccc1	ZINC000004481057	342874141	/nfs/dbraw/zinc/87/41/41/342874141.db2.gz	MRSCMHIKTQBAMY-JTQLQIEISA-N	-2	0	244.183	1.423	50	0		BDAARL
O=C([O-])c1sc(C(=O)[O-])c2c1OCCCO2	ZINC000034483854	343272564	/nfs/dbraw/zinc/27/25/64/343272564.db2.gz	MCLQXEPXGNPDHG-UHFFFAOYSA-N	-2	0	244.224	1.306	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccccc1Cl	ZINC000002043357	383946474	/nfs/dbraw/zinc/94/64/74/383946474.db2.gz	JKZMBINIIFRDHY-SSDOTTSWSA-N	-2	0	228.631	1.983	50	0		BDAARL
CC(=C\C(=O)[O-])/C(=C/c1cccnc1)C(=O)[O-]	ZINC000012342765	384312920	/nfs/dbraw/zinc/31/29/20/384312920.db2.gz	ZCEHWVZTWVHJOZ-QYEKGNEQSA-N	-2	0	233.223	1.581	50	0		BDAARL
O=C([O-])c1cncc(-c2cncc(C(=O)[O-])c2)c1	ZINC000097757460	384555308	/nfs/dbraw/zinc/55/53/08/384555308.db2.gz	BDDJIOVNODRVCG-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
O=C([O-])Cc1c(Cl)cccc1C(=O)[O-]	ZINC000057939280	384972385	/nfs/dbraw/zinc/97/23/85/384972385.db2.gz	HARZEJOUACLTDB-UHFFFAOYSA-N	-2	0	214.604	1.665	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1cccs1	ZINC000034936199	398018005	/nfs/dbraw/zinc/01/80/05/398018005.db2.gz	KWXLGJVYLAGBAP-UHFFFAOYSA-N	-2	0	214.242	1.781	50	0		BDAARL
CC[C@@H](Sc1ncccc1C(=O)[O-])C(=O)[O-]	ZINC000005059362	170950926	/nfs/dbraw/zinc/95/09/26/170950926.db2.gz	BDUZHLLXDWNLSX-SSDOTTSWSA-N	-2	0	241.268	1.735	50	0		BDAARL
O=C([O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000000256725	342681354	/nfs/dbraw/zinc/68/13/54/342681354.db2.gz	FUSOIMWPMXIWLV-UHFFFAOYSA-N	-2	0	222.225	1.284	50	0		BDAARL
C[C@@H]1[C@H](C(=O)[O-])C[C@H](C(=O)[O-])C1(C)C	ZINC000003995846	342740250	/nfs/dbraw/zinc/74/02/50/342740250.db2.gz	VWSICSGXUBUSMN-FSDSQADBSA-N	-2	0	200.234	1.454	50	0		BDAARL
CC(C)C1C(=O)N=C(SCC(=O)[O-])N=C1[O-]	ZINC000009008399	342806868	/nfs/dbraw/zinc/80/68/68/342806868.db2.gz	LMAAQXIRMQYYOZ-UHFFFAOYSA-N	-2	0	244.272	1.188	50	0		BDAARL
Cc1ccc2nc(C(=O)[O-])c(C(=O)[O-])nc2c1	ZINC000000208092	344638310	/nfs/dbraw/zinc/63/83/10/344638310.db2.gz	HGYNHODPEWXLIH-UHFFFAOYSA-N	-2	0	232.195	1.335	50	0		BDAARL
Cc1cccc2c(C(=O)[O-])cc(C(=O)[O-])nc12	ZINC000000192843	179209088	/nfs/dbraw/zinc/20/90/88/179209088.db2.gz	RUXYIPCFZUXPQH-UHFFFAOYSA-N	-2	0	231.207	1.940	50	0		BDAARL
CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000000086682	188098821	/nfs/dbraw/zinc/09/88/21/188098821.db2.gz	KQQYZSYKZQESPQ-UHFFFAOYSA-N	-2	0	223.184	1.041	50	0		BDAARL
O=C([O-])C(C(=O)[O-])[C@@H]1CCc2ccccc21	ZINC000002510339	188101287	/nfs/dbraw/zinc/10/12/87/188101287.db2.gz	HTVUUKAYJQDTHI-SECBINFHSA-N	-2	0	220.224	1.502	50	0		BDAARL
O=C([O-])CCCCCc1cc(C(=O)[O-])ccn1	ZINC000004085485	182437097	/nfs/dbraw/zinc/43/70/97/182437097.db2.gz	YDACUXMMBHYUQG-UHFFFAOYSA-N	-2	0	237.255	1.967	50	0	biogenic	BDAARL
O=C([O-])C[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000000291743	182474790	/nfs/dbraw/zinc/47/47/90/182474790.db2.gz	GTOFKXZQQDSVFH-SECBINFHSA-N	-2	0	208.213	1.405	50	0	in-vivo	BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000004653553	182482025	/nfs/dbraw/zinc/48/20/25/182482025.db2.gz	AGFXJIDIVHRKCA-QMMMGPOBSA-N	-2	0	228.631	1.983	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000041250205	384185565	/nfs/dbraw/zinc/18/55/65/384185565.db2.gz	OUPCJGJSIKKQND-MRVPVSSYSA-N	-2	0	228.631	1.983	50	0		BDAARL
O=C([O-])c1cc([S@](=O)[O-])ccc1F	ZINC000145730973	384783472	/nfs/dbraw/zinc/78/34/72/384783472.db2.gz	GZFRSLKOQLCINJ-UHFFFAOYSA-N	-2	0	204.178	1.105	50	0		BDAARL
O=P([O-])([O-])c1cc(Cl)ccc1Cl	ZINC000055104315	384868645	/nfs/dbraw/zinc/86/86/45/384868645.db2.gz	GLGUILFNGGVEDO-UHFFFAOYSA-N	-2	0	226.983	1.796	50	0		BDAARL
C[C@@H]1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C[C@@H]1C	ZINC000004321964	177309934	/nfs/dbraw/zinc/30/99/34/177309934.db2.gz	NSVFQYRNBOFQMT-ULAWRXDQSA-N	-2	0	200.234	1.454	50	0		BDAARL
C[C@](CC(=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000000177646	177441680	/nfs/dbraw/zinc/44/16/80/177441680.db2.gz	ZQVXSSDWCRHKPX-LLVKDONJSA-N	-2	0	208.213	1.504	50	0	in-vitro	BDAARL
Cc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)c(C)c1	ZINC000038478124	178344409	/nfs/dbraw/zinc/34/44/09/178344409.db2.gz	WWSGROVFBXOALE-UHFFFAOYSA-N	-2	0	232.239	1.481	50	0		BDAARL
O=C([O-])c1cc(C(=O)[O-])c2ccccc2n1	ZINC000000183782	342679482	/nfs/dbraw/zinc/67/94/82/342679482.db2.gz	JPGZDTDZZDLVHW-UHFFFAOYSA-N	-2	0	217.180	1.631	50	0		BDAARL
O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1	ZINC000000056644	342671806	/nfs/dbraw/zinc/67/18/06/342671806.db2.gz	FXPLCAKVOYHAJA-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000003135732	342730916	/nfs/dbraw/zinc/73/09/16/342730916.db2.gz	UEDASXCDLXPBGQ-BDAKNGLRSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])c1cccc(SCc2nnn[n-]2)c1	ZINC000095221692	342763115	/nfs/dbraw/zinc/76/31/15/342763115.db2.gz	XVWNYBJRYYKFFK-UHFFFAOYSA-N	-2	0	236.256	1.190	50	0		BDAARL
O=[PH]([O-])[C@H](C[P@@H](=O)[O-])c1ccccc1	ZINC000013810113	342872199	/nfs/dbraw/zinc/87/21/99/342872199.db2.gz	MHNOFMGKCCXSFD-MRVPVSSYSA-N	-2	0	234.128	1.662	50	0		BDAARL
Cc1nc(Cl)c(C(=O)[O-])c(C(=O)[O-])c1O	ZINC000039123722	356370662	/nfs/dbraw/zinc/37/06/62/356370662.db2.gz	VNBIPGLCXRTPIF-UHFFFAOYSA-N	-2	0	231.591	1.145	50	0		BDAARL
CCc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2)c1=O	ZINC000040415125	373249836	/nfs/dbraw/zinc/24/98/36/373249836.db2.gz	XFCKZWHAZBREHU-UHFFFAOYSA-N	-2	0	246.266	1.735	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1ccccc1O	ZINC000082087209	182431654	/nfs/dbraw/zinc/43/16/54/182431654.db2.gz	VFZKWVWWBOFGAJ-UHFFFAOYSA-N	-2	0	224.212	1.425	50	0		BDAARL
O=C([O-])[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1	ZINC000039273950	182520288	/nfs/dbraw/zinc/52/02/88/182520288.db2.gz	CPBWKVACBJABJR-GZMMTYOYSA-N	-2	0	206.197	1.114	50	0		BDAARL
CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	ZINC000000001086	383818033	/nfs/dbraw/zinc/81/80/33/383818033.db2.gz	LSPHULWDVZXLIL-LDWIPMOCSA-N	-2	0	200.234	1.598	50	0	endogenous,in-man	BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccccc1Cl	ZINC000001670228	383921492	/nfs/dbraw/zinc/92/14/92/383921492.db2.gz	JKZMBINIIFRDHY-ZETCQYMHSA-N	-2	0	228.631	1.983	50	0		BDAARL
O=C([O-])CCc1cccc(CCC(=O)[O-])c1	ZINC000002163727	383953721	/nfs/dbraw/zinc/95/37/21/383953721.db2.gz	DIVRAHZSTAIUNB-UHFFFAOYSA-N	-2	0	222.240	1.721	50	0		BDAARL
O=C([O-])CCOc1ccc(CC(=O)[O-])cc1	ZINC000071773961	384177714	/nfs/dbraw/zinc/17/77/14/384177714.db2.gz	HWQJRINXQSCPRR-UHFFFAOYSA-N	-2	0	224.212	1.167	50	0		BDAARL
CCOc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000004964273	170558080	/nfs/dbraw/zinc/55/80/80/170558080.db2.gz	QAQVLIIHZKSAHT-SNVBAGLBSA-N	-2	0	238.239	1.728	50	0		BDAARL
COc1ccc(C(=O)[O-])c(CC(=O)[O-])c1	ZINC000036456426	175064591	/nfs/dbraw/zinc/06/45/91/175064591.db2.gz	BOLRXRKAHDAYHL-UHFFFAOYSA-N	-2	0	210.185	1.021	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2C[C@H]3C4C2C2C4[C@@H](C[C@@H]21)[C@@H]3C(=O)[O-]	ZINC000257357168	262792021	/nfs/dbraw/zinc/79/20/21/262792021.db2.gz	MLCKZXZLBVXZET-FZXQHQSYSA-N	-2	0	248.278	1.166	50	0		BDAARL
O=C([O-])c1cn2ccccc2c1C(=O)[O-]	ZINC000004085166	342741946	/nfs/dbraw/zinc/74/19/46/342741946.db2.gz	VLVJZHLGKGHWEZ-UHFFFAOYSA-N	-2	0	205.169	1.336	50	0		BDAARL
O=S(=O)([O-])c1ccc2sc(=S)[n-]c2c1	ZINC000004503299	342748320	/nfs/dbraw/zinc/74/83/20/342748320.db2.gz	YOPUIFSTGVXMLL-UHFFFAOYSA-N	-2	0	247.322	1.832	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2C[C@@H]3[C@H]4[C@H]5[C@@H]([C@@H]42)[C@@H]1C[C@H]5[C@@H]3C(=O)[O-]	ZINC000257357170	398321661	/nfs/dbraw/zinc/32/16/61/398321661.db2.gz	MLCKZXZLBVXZET-ZECHGXAVSA-N	-2	0	248.278	1.166	50	0		BDAARL
O=C([O-])c1cnn2c1nc(C1CC1)cc2C(=O)[O-]	ZINC000036615695	347421261	/nfs/dbraw/zinc/42/12/61/347421261.db2.gz	DESDYEBKWOCWMF-UHFFFAOYSA-N	-2	0	247.210	1.003	50	0		BDAARL
O=C([O-])C/C(=C\c1cccc(O)c1)C(=O)[O-]	ZINC000072434028	188131494	/nfs/dbraw/zinc/13/14/94/188131494.db2.gz	GAMYCNNWJUAQFE-XBXARRHUSA-N	-2	0	222.196	1.335	50	0		BDAARL
Cc1c(F)cc(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000675060704	541463927	/nfs/dbraw/zinc/46/39/27/541463927.db2.gz	HJLXVGTVTAONMU-UHFFFAOYSA-N	-2	0	218.205	1.413	50	0		BDAARL
O=C([O-])CCc1ccc(CCC(=O)[O-])cc1	ZINC000000406914	182453789	/nfs/dbraw/zinc/45/37/89/182453789.db2.gz	DFOCUWFSRVQSNI-UHFFFAOYSA-N	-2	0	222.240	1.721	50	0		BDAARL
CC(C)([N-]C(=O)C(Cl)(Cl)Cl)C(=O)[O-]	ZINC000042768716	384240152	/nfs/dbraw/zinc/24/01/52/384240152.db2.gz	JFYGLGVPKRDJBH-UHFFFAOYSA-N	-2	0	248.493	1.336	50	0		BDAARL
O=C([O-])CC[P@](=O)([O-])[C@H]1CCCC[C@@H]1O	ZINC000004837166	385009294	/nfs/dbraw/zinc/00/92/94/385009294.db2.gz	CVQXBBSODAEBOP-YUMQZZPRSA-N	-2	0	236.204	1.035	50	0		BDAARL
CC1(C)C[C@H](C(=O)[O-])[C@@H](CCC(=O)[O-])CO1	ZINC000000518624	385405153	/nfs/dbraw/zinc/40/51/53/385405153.db2.gz	FJFJDSUKLADSJK-YUMQZZPRSA-N	-2	0	230.260	1.367	50	0	biogenic	BDAARL
CC1=CC(C)(C)[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000000054322	168093330	/nfs/dbraw/zinc/09/33/30/168093330.db2.gz	FXRAOARZHSCPPN-HTQZYQBOSA-N	-2	0	212.245	1.764	50	0		BDAARL
Cc1[n-]n(CCC(C)C)c(=O)c1CC(=O)[O-]	ZINC000042439526	168133605	/nfs/dbraw/zinc/13/36/05/168133605.db2.gz	OLDHSYDEJBUYPX-SECBINFHSA-N	-2	0	226.276	1.342	50	0		BDAARL
Cc1[n-]n(CCC(C)C)c(=O)c1CC(=O)[O-]	ZINC000100643891	168134046	/nfs/dbraw/zinc/13/40/46/168134046.db2.gz	OLDHSYDEJBUYPX-VIFPVBQESA-N	-2	0	226.276	1.342	50	0		BDAARL
COc1cccc(C[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000000249051	175270489	/nfs/dbraw/zinc/27/04/89/175270489.db2.gz	FMZYGPLENOEZAC-VIFPVBQESA-N	-2	0	238.239	1.413	50	0		BDAARL
CCc1ccc(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000306792376	582654371	/nfs/dbraw/zinc/65/43/71/582654371.db2.gz	QQUXRPDKXCERCY-UHFFFAOYSA-N	-2	0	214.242	1.528	50	0		BDAARL
O=C([O-])c1ccc([S@](=O)[O-])c(Cl)c1	ZINC000307234751	643670454	/nfs/dbraw/zinc/67/04/54/643670454.db2.gz	SLXYSIKHEDNPNL-UHFFFAOYSA-N	-2	0	220.633	1.619	50	0		BDAARL
O=C([O-])c1cccc(Cl)c1C(=O)[O-]	ZINC000000133149	342676357	/nfs/dbraw/zinc/67/63/57/342676357.db2.gz	BKFXSOCDAQACQM-UHFFFAOYSA-N	-2	0	200.577	1.736	50	0		BDAARL
[O-]C1=NC(=S)N=C([O-])C1c1ccccc1	ZINC000017111120	342920857	/nfs/dbraw/zinc/92/08/57/342920857.db2.gz	NCTFZUUDZXRELF-UHFFFAOYSA-N	-2	0	220.253	1.805	50	0		BDAARL
O=C([O-])c1cc([S@](=O)[O-])ccc1Cl	ZINC000167036697	346184802	/nfs/dbraw/zinc/18/48/02/346184802.db2.gz	CTBSLETVXYDOMD-UHFFFAOYSA-N	-2	0	220.633	1.619	50	0		BDAARL
CC(=O)C(C)(CCC(=O)[O-])CCC(=O)[O-]	ZINC000001586422	187409175	/nfs/dbraw/zinc/40/91/75/187409175.db2.gz	LYBQMKJABQTTFJ-UHFFFAOYSA-N	-2	0	216.233	1.311	50	0		BDAARL
O=C([O-])C/C(=C/c1ccccc1)C(=O)[O-]	ZINC000000337086	188099388	/nfs/dbraw/zinc/09/93/88/188099388.db2.gz	KYILORDWJFEQBS-TWGQIWQCSA-N	-2	0	206.197	1.629	50	0	in-vitro	BDAARL
CC(C)(Oc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000057833539	188179690	/nfs/dbraw/zinc/17/96/90/188179690.db2.gz	ARAZWXGQPYMGHA-UHFFFAOYSA-N	-2	0	224.212	1.627	50	0		BDAARL
C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1	ZINC000004797966	356362784	/nfs/dbraw/zinc/36/27/84/356362784.db2.gz	MLAWEKSPGNGPNZ-IONNQARKSA-N	-2	0	208.213	1.576	50	0		BDAARL
O=C([O-])CC[C@H]1CCC[C@H](CCC(=O)[O-])C1=O	ZINC000004336270	182452315	/nfs/dbraw/zinc/45/23/15/182452315.db2.gz	VNBPUTCYQIGOAH-RKDXNWHRSA-N	-2	0	242.271	1.701	50	0		BDAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000003135731	182567868	/nfs/dbraw/zinc/56/78/68/182567868.db2.gz	UEDASXCDLXPBGQ-RKDXNWHRSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000004653552	384073443	/nfs/dbraw/zinc/07/34/43/384073443.db2.gz	AGFXJIDIVHRKCA-MRVPVSSYSA-N	-2	0	228.631	1.983	50	0		BDAARL
O=C([O-])CC[P@](=O)([O-])[C@@H]1CCCC[C@@H]1O	ZINC000004837167	385008956	/nfs/dbraw/zinc/00/89/56/385008956.db2.gz	CVQXBBSODAEBOP-JGVFFNPUSA-N	-2	0	236.204	1.035	50	0		BDAARL
O=C1[N-]C(=O)C(=C([O-])c2ccccc2O)C(=O)N1	ZINC000103561346	387474452	/nfs/dbraw/zinc/47/44/52/387474452.db2.gz	DAXMTRRVQMYPSY-UHFFFAOYSA-N	-2	0	248.194	1.072	50	0		BDAARL
CCNc1ccc(S(=O)(=O)[O-])cc1C(=O)[O-]	ZINC000001733875	170174367	/nfs/dbraw/zinc/17/43/67/170174367.db2.gz	WXUAZZARGUDIHU-UHFFFAOYSA-N	-2	0	245.256	1.063	50	0		BDAARL
COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1	ZINC000002505285	175087731	/nfs/dbraw/zinc/08/77/31/175087731.db2.gz	ZBBWIKBLGUCZOQ-UHFFFAOYSA-N	-2	0	224.212	1.023	50	0		BDAARL
C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000004728587	177040003	/nfs/dbraw/zinc/04/00/03/177040003.db2.gz	FDXVETHETURZLC-SCZZXKLOSA-N	-2	0	222.240	1.966	50	0		BDAARL
Nc1cc(C(=O)[O-])c(Cl)cc1C(=O)[O-]	ZINC000000192452	342679781	/nfs/dbraw/zinc/67/97/81/342679781.db2.gz	QGFBVADCOZMDHS-UHFFFAOYSA-N	-2	0	215.592	1.319	50	0		BDAARL
O=C([O-])c1ccc(Cl)c(C(=O)[O-])c1	ZINC000001601965	342705260	/nfs/dbraw/zinc/70/52/60/342705260.db2.gz	APLYBKHRTXFIBT-UHFFFAOYSA-N	-2	0	200.577	1.736	50	0		BDAARL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cn2)nc1	ZINC000005017776	342756607	/nfs/dbraw/zinc/75/66/07/342756607.db2.gz	KVQMUHHSWICEIH-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0	in-vitro	BDAARL
O=C([O-])C1(C(=O)[O-])CC2(CC(F)(F)C2)C1	ZINC000606302045	351552283	/nfs/dbraw/zinc/55/22/83/351552283.db2.gz	XAGJZAZPAYEPMY-UHFFFAOYSA-N	-2	0	220.171	1.351	50	0		BDAARL
O=C([O-])c1ccc(Cl)c([S@@](=O)[O-])c1	ZINC000003529769	372012332	/nfs/dbraw/zinc/01/23/32/372012332.db2.gz	XTBFOJKVQGWRSR-UHFFFAOYSA-N	-2	0	220.633	1.619	50	0		BDAARL
O=C([O-])CCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000000062059	182433307	/nfs/dbraw/zinc/43/33/07/182433307.db2.gz	OGPDRYVIHAFSNL-UHFFFAOYSA-N	-2	0	237.211	1.188	50	0	biogenic	BDAARL
O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000002562139	182568704	/nfs/dbraw/zinc/56/87/04/182568704.db2.gz	UEDASXCDLXPBGQ-IUCAKERBSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])CSCCCCSCC(=O)[O-]	ZINC000001701697	383926297	/nfs/dbraw/zinc/92/62/97/383926297.db2.gz	YYQVDRBXQVJUHE-UHFFFAOYSA-N	-2	0	238.330	1.402	50	0		BDAARL
S=c1[n-]nc2c(=S)[nH]c3ccccc3n12	ZINC000100203348	383902398	/nfs/dbraw/zinc/90/23/98/383902398.db2.gz	FYTBEPMFYXFJKF-UHFFFAOYSA-N	-2	0	234.309	1.855	50	0		BDAARL
O=C([O-])CSC(=S)Nc1ccccn1	ZINC000001560659	383904028	/nfs/dbraw/zinc/90/40/28/383904028.db2.gz	AFAFUUWGMJHGTR-UHFFFAOYSA-N	-2	0	228.298	1.596	50	0		BDAARL
O=C([O-])C[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000039255377	384906330	/nfs/dbraw/zinc/90/63/30/384906330.db2.gz	LUVIQIGKOIMWIG-LBPRGKRZSA-N	-2	0	220.224	1.430	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1c[nH]c2ccccc21	ZINC000000141570	385217732	/nfs/dbraw/zinc/21/77/32/385217732.db2.gz	HVTXQEBIPXLXDW-QMMMGPOBSA-N	-2	0	233.223	1.811	50	0	biogenic	BDAARL
O=C([O-])CSc1ccc(C(=O)[O-])cc1	ZINC000005714953	387507730	/nfs/dbraw/zinc/50/77/30/387507730.db2.gz	ZKVIZDHFJPKQHV-UHFFFAOYSA-N	-2	0	212.226	1.562	50	0		BDAARL
C[C@H]1CCC(CC(=O)[O-])(CC(=O)[O-])C1	ZINC000004759604	177069694	/nfs/dbraw/zinc/06/96/94/177069694.db2.gz	NSIWGWOIAUQJFI-ZETCQYMHSA-N	-2	0	200.234	1.742	50	0		BDAARL
O=C([O-])[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000004975980	487929512	/nfs/dbraw/zinc/92/95/12/487929512.db2.gz	AFPBGEGBLXHXNY-SSDOTTSWSA-N	-2	0	247.172	1.491	50	0		BDAARL
COc1ccccc1O/C(=C\C(=O)[O-])C(=O)[O-]	ZINC000252487845	524652827	/nfs/dbraw/zinc/65/28/27/524652827.db2.gz	ICINKPCFYJQJJL-TWGQIWQCSA-N	-2	0	238.195	1.127	50	0		BDAARL
Cc1ccc([S@](=O)[O-])cc1C(=O)[O-]	ZINC000167765276	566338768	/nfs/dbraw/zinc/33/87/68/566338768.db2.gz	DVIQUGJDBXGENR-UHFFFAOYSA-N	-2	0	200.215	1.274	50	0		BDAARL
Cc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000041217063	346823918	/nfs/dbraw/zinc/82/39/18/346823918.db2.gz	LUFKHUSRYFHILF-VIFPVBQESA-N	-2	0	208.213	1.638	50	0		BDAARL
O=C([O-])c1ccccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000003135722	342730891	/nfs/dbraw/zinc/73/08/91/342730891.db2.gz	FMBZACSQAXLFGC-JGVFFNPUSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000003851684	342738404	/nfs/dbraw/zinc/73/84/04/342738404.db2.gz	AFPBGEGBLXHXNY-ZETCQYMHSA-N	-2	0	247.172	1.491	50	0		BDAARL
O=C([O-])c1cc(O)cc(Br)c1	ZINC000012956775	342861979	/nfs/dbraw/zinc/86/19/79/342861979.db2.gz	WGIBEMRBLBGETQ-UHFFFAOYSA-N	-2	0	217.018	1.853	50	0		BDAARL
CCCCS[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000003683409	343272809	/nfs/dbraw/zinc/27/28/09/343272809.db2.gz	RTJMFWSSMKLWKL-LURJTMIESA-N	-2	0	206.263	1.448	50	0		BDAARL
CC1(C)C[C@@H](C(=O)[O-])[C@H](CCC(=O)[O-])CO1	ZINC000000518623	346962048	/nfs/dbraw/zinc/96/20/48/346962048.db2.gz	FJFJDSUKLADSJK-HTQZYQBOSA-N	-2	0	230.260	1.367	50	0	biogenic	BDAARL
CC(=C\C(=O)[O-])/C(=C\c1cccnc1)C(=O)[O-]	ZINC000004811671	344274494	/nfs/dbraw/zinc/27/44/94/344274494.db2.gz	ZCEHWVZTWVHJOZ-YLDLMLGBSA-N	-2	0	233.223	1.581	50	0		BDAARL
CC(C)C1=CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000004863041	346610483	/nfs/dbraw/zinc/61/04/83/346610483.db2.gz	OAKIBDGEEQFWHU-DTWKUNHWSA-N	-2	0	212.245	1.764	50	0		BDAARL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000005121028	346611436	/nfs/dbraw/zinc/61/14/36/346611436.db2.gz	WDFBLFTVCQEYEB-AOOOYVTPSA-N	-2	0	220.224	1.817	50	0		BDAARL
C[C@@H](Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000000393206	350332314	/nfs/dbraw/zinc/33/23/14/350332314.db2.gz	QDHUFUMCOCIMMV-ZCFIWIBFSA-N	-2	0	209.201	1.270	50	0		BDAARL
Cc1[n-]n(-c2ccc(C(=O)[O-])cc2)c(=O)c1C	ZINC000004993455	180327401	/nfs/dbraw/zinc/32/74/01/180327401.db2.gz	KEPKTIJKRPYYAF-UHFFFAOYSA-N	-2	0	232.239	1.893	50	0		BDAARL
O=C([O-])c1cc2c(nc(C(F)(F)F)[n-]c2=O)o1	ZINC000012769584	354383397	/nfs/dbraw/zinc/38/33/97/354383397.db2.gz	GCZFGQQEDQWFIM-UHFFFAOYSA-N	-2	0	248.116	1.645	50	0		BDAARL
O=C([O-])CSc1ccccc1CC(=O)[O-]	ZINC000038867909	182473873	/nfs/dbraw/zinc/47/38/73/182473873.db2.gz	OJSJRRBPZGBMIU-UHFFFAOYSA-N	-2	0	226.253	1.490	50	0		BDAARL
O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000000390078	182514541	/nfs/dbraw/zinc/51/45/41/182514541.db2.gz	WDFBLFTVCQEYEB-NXEZZACHSA-N	-2	0	220.224	1.817	50	0		BDAARL
O=C([O-])[C@H]1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000005121029	182540892	/nfs/dbraw/zinc/54/08/92/182540892.db2.gz	WDFBLFTVCQEYEB-UWVGGRQHSA-N	-2	0	220.224	1.817	50	0		BDAARL
O=C([O-])c1cc(C(=O)[O-])cc(-n2cccc2)c1	ZINC000012324961	182553828	/nfs/dbraw/zinc/55/38/28/182553828.db2.gz	MISWECJRMOKHHJ-UHFFFAOYSA-N	-2	0	231.207	1.874	50	0		BDAARL
O=C([O-])CCN(CCC(=O)[O-])c1ccccc1	ZINC000002023071	383944520	/nfs/dbraw/zinc/94/45/20/383944520.db2.gz	DVHDYXZJJHYSPU-UHFFFAOYSA-N	-2	0	237.255	1.442	50	0		BDAARL
O=C([O-])/C=C(/Oc1ccccc1Cl)C(=O)[O-]	ZINC000033709406	384403254	/nfs/dbraw/zinc/40/32/54/384403254.db2.gz	PGNXFAPJRFCCPP-VMPITWQZSA-N	-2	0	242.614	1.772	50	0		BDAARL
Cc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000041217061	385488438	/nfs/dbraw/zinc/48/84/38/385488438.db2.gz	LUFKHUSRYFHILF-SECBINFHSA-N	-2	0	208.213	1.638	50	0		BDAARL
C/C(=C/C(=C\c1ccco1)C(=O)[O-])C(=O)[O-]	ZINC000005369201	166231568	/nfs/dbraw/zinc/23/15/68/166231568.db2.gz	GQZPNTNTSWXQOQ-CGXWXWIYSA-N	-2	0	222.196	1.779	50	0	biogenic	BDAARL
COc1cccc(C(CC(=O)[O-])CC(=O)[O-])c1	ZINC000012336861	175246894	/nfs/dbraw/zinc/24/68/94/175246894.db2.gz	GTUJHNHKCXMUCY-UHFFFAOYSA-N	-2	0	238.239	1.728	50	0		BDAARL
O=C([O-])C1[C@@H]2CC[C@H]3C(C(=O)[O-])[C@@H]3CC[C@@H]12	ZINC000003897806	633154527	/nfs/dbraw/zinc/15/45/27/633154527.db2.gz	VFVZTBGESJUMCY-OUUZFZCISA-N	-2	0	224.256	1.454	50	0		BDAARL
O=C([O-])C(C(=O)[O-])[C@H]1CCC(F)(F)C1	ZINC000675007637	960432628	/nfs/dbraw/zinc/43/26/28/960432628.db2.gz	CJKPHQICHQZSAM-BYPYZUCNSA-N	-2	0	208.160	1.207	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2CC[C@H]3[C@H](C(=O)[O-])[C@H]3CC[C@H]21	ZINC000828468259	968790061	/nfs/dbraw/zinc/79/00/61/968790061.db2.gz	VFVZTBGESJUMCY-AIGBEWNKSA-N	-2	0	224.256	1.454	50	0		BDAARL
O=C([O-])C(C(=O)[O-])=C1C2CC3CC(C2)CC1C3	ZINC000004301075	342746572	/nfs/dbraw/zinc/74/65/72/342746572.db2.gz	WDZNKSJWDRECSO-UHFFFAOYSA-N	-2	0	236.267	1.908	50	0		BDAARL
O=C([O-])c1cc2cc(F)c([O-])c(F)c2oc1=O	ZINC000026834195	343109916	/nfs/dbraw/zinc/10/99/16/343109916.db2.gz	VYNDHICBIRRPFP-UHFFFAOYSA-N	-2	0	242.133	1.475	50	0	in-vitro	BDAARL
CCCCS[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000003683410	343272720	/nfs/dbraw/zinc/27/27/20/343272720.db2.gz	RTJMFWSSMKLWKL-ZCFIWIBFSA-N	-2	0	206.263	1.448	50	0		BDAARL
O=C([O-])C1CC2CC(C1)CC(C(=O)[O-])C2	ZINC000039233818	343387442	/nfs/dbraw/zinc/38/74/42/343387442.db2.gz	NZYARQFLAVKFIQ-UHFFFAOYSA-N	-2	0	212.245	1.598	50	0		BDAARL
O=C([O-])c1ccc(Br)c(C(=O)[O-])c1	ZINC000000039104	190968921	/nfs/dbraw/zinc/96/89/21/190968921.db2.gz	MSQIEZXCNYUWHN-UHFFFAOYSA-N	-2	0	245.028	1.846	50	0		BDAARL
C[C@H](Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000000393205	350332309	/nfs/dbraw/zinc/33/23/09/350332309.db2.gz	QDHUFUMCOCIMMV-LURJTMIESA-N	-2	0	209.201	1.270	50	0		BDAARL
CC(C)(CC(=O)[O-])[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002145456	351985572	/nfs/dbraw/zinc/98/55/72/351985572.db2.gz	SRXBEKYXSVLAPC-ZCFIWIBFSA-N	-3	0	232.232	1.053	50	0		BDAARL
O=C([O-])CC([O-])=C1C(=O)Nc2ccccc21	ZINC000102311930	188336076	/nfs/dbraw/zinc/33/60/76/188336076.db2.gz	IDXVLPSYSJIXCJ-CSKARUKUSA-N	-2	0	219.196	1.383	50	0		BDAARL
O=C([O-])C[C@@H](CCc1ccsc1)C(=O)[O-]	ZINC000075279425	356937536	/nfs/dbraw/zinc/93/75/36/356937536.db2.gz	CLYKVGYDCVYZFW-MRVPVSSYSA-N	-2	0	228.269	1.856	50	0		BDAARL
O=C([O-])/C=C/c1cccc(/C=C/C(=O)[O-])c1	ZINC000000242770	182412958	/nfs/dbraw/zinc/41/29/58/182412958.db2.gz	KRXUBZPHAPGHPE-YDFGWWAZSA-N	-2	0	218.208	1.882	50	0	in-vitro	BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2	ZINC000041279697	182475241	/nfs/dbraw/zinc/47/52/41/182475241.db2.gz	ZIRWLKGPGSMWRY-SSDOTTSWSA-N	-2	0	238.195	1.058	50	0		BDAARL
O=C([O-])Cc1ccc(CC(=O)[O-])s1	ZINC000005945407	182490689	/nfs/dbraw/zinc/49/06/89/182490689.db2.gz	UBLJLZOEBQQNKQ-UHFFFAOYSA-N	-2	0	200.215	1.002	50	0		BDAARL
O=C([O-])Cc1c2ccccc2[nH]c1C(=O)[O-]	ZINC000000034354	383819936	/nfs/dbraw/zinc/81/99/36/383819936.db2.gz	CRMJDDJAUJZUDJ-UHFFFAOYSA-N	-2	0	219.196	1.493	50	0	biogenic	BDAARL
O=C([O-])CC(=O)c1ccccc1C(=O)[O-]	ZINC000000343704	383856544	/nfs/dbraw/zinc/85/65/44/383856544.db2.gz	UFTYDYPGWHGYKH-UHFFFAOYSA-N	-2	0	208.169	1.042	50	0		BDAARL
O=C([O-])CC(Cl)(Cl)CC(=O)[O-]	ZINC000003074796	383996642	/nfs/dbraw/zinc/99/66/42/383996642.db2.gz	OJIQJZOQCIWIGQ-UHFFFAOYSA-N	-2	0	201.005	1.110	50	0		BDAARL
O=C([O-])/C=C(/Sc1ccccc1)C(=O)[O-]	ZINC000004300835	384052325	/nfs/dbraw/zinc/05/23/25/384052325.db2.gz	KLLLLEFDGHBUOZ-SOFGYWHQSA-N	-2	0	224.237	1.832	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cccc(F)c1	ZINC000044122573	384313703	/nfs/dbraw/zinc/31/37/03/384313703.db2.gz	FCGFKFCICBDDMH-MRVPVSSYSA-N	-2	0	212.176	1.469	50	0		BDAARL
O=C([O-])c1c[nH]n(-c2ccccc2)c1=O	ZINC000095531994	384380804	/nfs/dbraw/zinc/38/08/04/384380804.db2.gz	JFDZGUYZVCHRIG-UHFFFAOYSA-N	-2	0	204.185	1.276	50	0		BDAARL
O=C([O-])c1cc2nc(Cl)[n-]c(Cl)c-2n1	ZINC000221512466	386003826	/nfs/dbraw/zinc/00/38/26/386003826.db2.gz	KDGOTZJTOUBOKU-UHFFFAOYSA-N	-2	0	232.026	1.963	50	0		BDAARL
O=C([O-])C1[C@@H]2C=C[C@@H]3C(C(=O)[O-])[C@H]4C=C[C@@H]1[C@H]4[C@@H]23	ZINC000247379329	387330340	/nfs/dbraw/zinc/33/03/40/387330340.db2.gz	IWODBGOLHQAYHC-WFMBRLGWSA-N	-2	0	246.262	1.252	50	0		BDAARL
O=C([O-])CSCCCSCC(=O)[O-]	ZINC000005369015	387497361	/nfs/dbraw/zinc/49/73/61/387497361.db2.gz	QFEGZYANALYACQ-UHFFFAOYSA-N	-2	0	224.303	1.012	50	0		BDAARL
COc1ccc(/C(=C\C(=O)[O-])C(=O)[O-])cc1	ZINC000005358452	175045865	/nfs/dbraw/zinc/04/58/65/175045865.db2.gz	QUPAHTUIJMRCDZ-RMKNXTFCSA-N	-2	0	222.196	1.248	50	0		BDAARL
Cc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)cc1C	ZINC000038478125	178344866	/nfs/dbraw/zinc/34/48/66/178344866.db2.gz	OZZMIMUMBCVSNG-UHFFFAOYSA-N	-2	0	232.239	1.481	50	0		BDAARL
CCCCCS[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000001688379	342709320	/nfs/dbraw/zinc/70/93/20/342709320.db2.gz	HQYPQYPNUGRPSM-SSDOTTSWSA-N	-2	0	220.290	1.838	50	0		BDAARL
O=C([O-])c1cnc(Cl)cc1C(=O)[O-]	ZINC000002524988	342722435	/nfs/dbraw/zinc/72/24/35/342722435.db2.gz	LVQPMCFUDXELIS-UHFFFAOYSA-N	-2	0	201.565	1.131	50	0		BDAARL
CC[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000005656200	342767905	/nfs/dbraw/zinc/76/79/05/342767905.db2.gz	IKRCKEUYLJBWHG-SECBINFHSA-N	-2	0	224.212	1.627	50	0		BDAARL
CC(C)C1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000004863044	344747143	/nfs/dbraw/zinc/74/71/43/344747143.db2.gz	OAKIBDGEEQFWHU-BDAKNGLRSA-N	-2	0	212.245	1.764	50	0		BDAARL
Cc1ccccc1[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000001761992	179340550	/nfs/dbraw/zinc/34/05/50/179340550.db2.gz	OXRKFXXTOLGIMG-VIFPVBQESA-N	-2	0	208.213	1.638	50	0		BDAARL
CCc1c(C(=O)[O-])cc(OC)cc1C(=O)[O-]	ZINC000000393252	363292748	/nfs/dbraw/zinc/29/27/48/363292748.db2.gz	YXUOKUCGHXHWGO-UHFFFAOYSA-N	-2	0	224.212	1.654	50	0		BDAARL
O=C([O-])c1ccc(-c2cnc(C(=O)[O-])nc2)cc1	ZINC000675069188	538498187	/nfs/dbraw/zinc/49/81/87/538498187.db2.gz	CRNBWQQLLWYUSG-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
O=C([O-])c1cc2cc(C(=O)[O-])ccc2[nH]1	ZINC000002582702	371604295	/nfs/dbraw/zinc/60/42/95/371604295.db2.gz	MUABQYJAPOQWCH-UHFFFAOYSA-N	-2	0	205.169	1.564	50	0		BDAARL
OCCn1c(=S)[nH]nc1-c1ccccc1O	ZINC000015083188	183101528	/nfs/dbraw/zinc/10/15/28/183101528.db2.gz	UUWDTBXJVWEBGC-UHFFFAOYSA-N	-2	0	237.284	1.306	50	0		BDAARL
O=C([O-])CC[C@H]1CCC[C@@H](CCC(=O)[O-])C1=O	ZINC000000083677	383824785	/nfs/dbraw/zinc/82/47/85/383824785.db2.gz	VNBPUTCYQIGOAH-DTORHVGOSA-N	-2	0	242.271	1.701	50	0		BDAARL
O=C([O-])Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000002969812	383992331	/nfs/dbraw/zinc/99/23/31/383992331.db2.gz	NHSQTARVCMCFRW-UHFFFAOYSA-N	-2	0	236.252	1.144	50	0		BDAARL
O=C([O-])CC[C@@H]1CCC[C@@H](CCC(=O)[O-])C1=O	ZINC000004336269	384057027	/nfs/dbraw/zinc/05/70/27/384057027.db2.gz	VNBPUTCYQIGOAH-IUCAKERBSA-N	-2	0	242.271	1.701	50	0		BDAARL
O=Cc1c2ccccc2n(CC(=O)[O-])c1C(=O)[O-]	ZINC000004636231	384071721	/nfs/dbraw/zinc/07/17/21/384071721.db2.gz	QKVFMEOZPJBKTL-UHFFFAOYSA-N	-2	0	247.206	1.237	50	0		BDAARL
CC(C)=CCO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000008215740	384196695	/nfs/dbraw/zinc/19/66/95/384196695.db2.gz	CBIDRCWHNCKSTO-UHFFFAOYSA-N	-3	0	246.092	1.179	50	0	endogenous,in-man	BDAARL
O=C([O-])C[C@@H](C(=O)[O-])C1CCCCC1	ZINC000025721043	384858962	/nfs/dbraw/zinc/85/89/62/384858962.db2.gz	FROUMWCGMNOSBK-MRVPVSSYSA-N	-2	0	200.234	1.742	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])C1CCCCC1	ZINC000025721036	384859031	/nfs/dbraw/zinc/85/90/31/384859031.db2.gz	FROUMWCGMNOSBK-QMMMGPOBSA-N	-2	0	200.234	1.742	50	0		BDAARL
O=C([O-])C[C@H](Cc1cccs1)C(=O)[O-]	ZINC000004419531	384977223	/nfs/dbraw/zinc/97/72/23/384977223.db2.gz	KQWBRBJXKFJNJT-LURJTMIESA-N	-2	0	214.242	1.466	50	0		BDAARL
O=C([O-])[C@H](Cc1ccccc1)[P@@H](=O)[O-]	ZINC000018196437	384985724	/nfs/dbraw/zinc/98/57/24/384985724.db2.gz	SXOGJOZEBICRIY-QMMMGPOBSA-N	-2	0	214.157	1.149	50	0		BDAARL
O=C([O-])CCc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000000794584	385902611	/nfs/dbraw/zinc/90/26/11/385902611.db2.gz	QADYCXGDBUZFOH-UHFFFAOYSA-N	-2	0	234.211	1.278	50	0		BDAARL
O=C([O-])CNc1cccc(Cl)c1C(=O)[O-]	ZINC000000393494	386146748	/nfs/dbraw/zinc/14/67/48/386146748.db2.gz	OIXXWHGSUFJMBM-UHFFFAOYSA-N	-2	0	229.619	1.535	50	0		BDAARL
Nc1cc(C(=O)[O-])ccc1SCCC(=O)[O-]	ZINC000058209679	386457990	/nfs/dbraw/zinc/45/79/90/386457990.db2.gz	FHBXHKCACQWKBY-UHFFFAOYSA-N	-2	0	241.268	1.534	50	0		BDAARL
COc1ccc(C=C(C(=O)[O-])C(=O)[O-])cc1	ZINC000000054736	175086339	/nfs/dbraw/zinc/08/63/39/175086339.db2.gz	QYXHQRJWUMDWGJ-UHFFFAOYSA-N	-2	0	222.196	1.248	50	0		BDAARL
O=C([O-])c1cccc(C(=O)[O-])c1Br	ZINC000003158512	342730761	/nfs/dbraw/zinc/73/07/61/342730761.db2.gz	LOICBODWTPYJIW-UHFFFAOYSA-N	-2	0	245.028	1.846	50	0		BDAARL
CC(C)Cc1[n-]c(C(=O)[O-])c(C(=O)[O-])[nH+]1	ZINC000238177598	537816854	/nfs/dbraw/zinc/81/68/54/537816854.db2.gz	QYEKTZXSICUQCC-UHFFFAOYSA-N	-2	0	212.205	1.005	50	0		BDAARL
CC(C)CS[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000002299568	346507705	/nfs/dbraw/zinc/50/77/05/346507705.db2.gz	YDHQINANGZTFLM-ZCFIWIBFSA-N	-2	0	206.263	1.304	50	0		BDAARL
O=C([O-])c1nc(Cl)c(Cl)nc1C(=O)[O-]	ZINC000072266121	191004671	/nfs/dbraw/zinc/00/46/71/191004671.db2.gz	WPBFEEVLBDWFGP-UHFFFAOYSA-N	-2	0	236.998	1.180	50	0		BDAARL
O=C([O-])c1ccc(Cc2ccc(C(=O)[O-])o2)o1	ZINC000000517765	350338652	/nfs/dbraw/zinc/33/86/52/350338652.db2.gz	UBLUFCRWIXJFEJ-UHFFFAOYSA-N	-2	0	236.179	1.860	50	0	biogenic	BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CC(=O)[O-]	ZINC000100002708	180330007	/nfs/dbraw/zinc/33/00/07/180330007.db2.gz	JXGWRTKUOJMSJI-UHFFFAOYSA-N	-2	0	232.239	1.513	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)[O-]	ZINC000095611351	180330128	/nfs/dbraw/zinc/33/01/28/180330128.db2.gz	RRCZUMRFXTUKAW-UHFFFAOYSA-N	-2	0	218.212	1.585	50	0		BDAARL
CC1(C)C[C@@H](C(=O)[O-])[C@@H](CCC(=O)[O-])CO1	ZINC000004026107	352588744	/nfs/dbraw/zinc/58/87/44/352588744.db2.gz	FJFJDSUKLADSJK-JGVFFNPUSA-N	-2	0	230.260	1.367	50	0	biogenic	BDAARL
C=C(Oc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000013435098	188342916	/nfs/dbraw/zinc/34/29/16/188342916.db2.gz	HGVAHYJMDVROLE-UHFFFAOYSA-N	-2	0	208.169	1.362	50	0	biogenic,in-vitro	BDAARL
O=C([O-])Cc1ccc(Cl)cc1C(=O)[O-]	ZINC000039251249	384111990	/nfs/dbraw/zinc/11/19/90/384111990.db2.gz	DAIIMCFNHPHJIK-UHFFFAOYSA-N	-2	0	214.604	1.665	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000041250208	384185239	/nfs/dbraw/zinc/18/52/39/384185239.db2.gz	OUPCJGJSIKKQND-QMMMGPOBSA-N	-2	0	228.631	1.983	50	0		BDAARL
O=C([O-])CCc1c[nH]c2cccc(C(=O)[O-])c12	ZINC000071773206	384178163	/nfs/dbraw/zinc/17/81/63/384178163.db2.gz	HWQSHMHVHBYOGG-UHFFFAOYSA-N	-2	0	233.223	1.883	50	0		BDAARL
CC(Cc1cccc(F)c1)(C(=O)[O-])C(=O)[O-]	ZINC000095347856	384368734	/nfs/dbraw/zinc/36/87/34/384368734.db2.gz	KBRFXQNXOJLPLQ-UHFFFAOYSA-N	-2	0	226.203	1.544	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc2c(c1)OCO2	ZINC000041279699	384636254	/nfs/dbraw/zinc/63/62/54/384636254.db2.gz	ZIRWLKGPGSMWRY-ZETCQYMHSA-N	-2	0	238.195	1.058	50	0		BDAARL
O=C([O-])CCSCc1ccc(C(=O)[O-])o1	ZINC000002299649	411509509	/nfs/dbraw/zinc/50/95/09/411509509.db2.gz	PKQXQTHFKMCOOE-UHFFFAOYSA-N	-2	0	230.241	1.686	50	0		BDAARL
COc1cc(CC(=O)[O-])c(C(=O)[O-])c(OC)c1	ZINC000000393203	174977868	/nfs/dbraw/zinc/97/78/68/174977868.db2.gz	AGUZDPQUSFEZEP-UHFFFAOYSA-N	-2	0	240.211	1.029	50	0		BDAARL
COc1ccc(/C(=C/C(=O)[O-])C(=O)[O-])cc1	ZINC000038194592	175045568	/nfs/dbraw/zinc/04/55/68/175045568.db2.gz	QUPAHTUIJMRCDZ-TWGQIWQCSA-N	-2	0	222.196	1.248	50	0		BDAARL
COc1cccc([C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000000392951	175294446	/nfs/dbraw/zinc/29/44/46/175294446.db2.gz	DFRXNLZHJFZSSL-VIFPVBQESA-N	-2	0	224.212	1.338	50	0		BDAARL
O=C([O-])c1ccccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000003135724	342730828	/nfs/dbraw/zinc/73/08/28/342730828.db2.gz	FMBZACSQAXLFGC-SFYZADRCSA-N	-2	0	249.222	1.044	50	0		BDAARL
O=C([O-])c1cc(NC(=O)C2CC2)cc(C(=O)[O-])c1	ZINC000004832026	342753110	/nfs/dbraw/zinc/75/31/10/342753110.db2.gz	VXBYVFVIEUTVBH-UHFFFAOYSA-N	-2	0	249.222	1.432	50	0		BDAARL
O=C([O-])CC[P@@](=O)([O-])[C@@H](O)c1ccccc1	ZINC000004481059	342874181	/nfs/dbraw/zinc/87/41/81/342874181.db2.gz	MRSCMHIKTQBAMY-SNVBAGLBSA-N	-2	0	244.183	1.423	50	0		BDAARL
CCOc1ccc([S@@](=O)[O-])cc1C(=O)[O-]	ZINC000217992930	537805528	/nfs/dbraw/zinc/80/55/28/537805528.db2.gz	NMJZCTWUYJTRCT-UHFFFAOYSA-N	-2	0	230.241	1.364	50	0		BDAARL
Cc1c(C)c(C(=O)[O-])sc1C(=O)[O-]	ZINC000039279112	347959774	/nfs/dbraw/zinc/95/97/74/347959774.db2.gz	OOXLBCRRSIYSPI-UHFFFAOYSA-N	-2	0	200.215	1.761	50	0		BDAARL
O=C([O-])C(C(=O)[O-])c1ccc(Cl)cc1	ZINC000013537347	188280280	/nfs/dbraw/zinc/28/02/80/188280280.db2.gz	HCEMITLHDQCRBV-UHFFFAOYSA-N	-2	0	214.604	1.593	50	0		BDAARL
O=C([O-])C[C@H](Cc1ccsc1)C(=O)[O-]	ZINC000005949531	355722139	/nfs/dbraw/zinc/72/21/39/355722139.db2.gz	DEZNEPHXNTVFAY-ZETCQYMHSA-N	-2	0	214.242	1.466	50	0		BDAARL
O=C([O-])c1cc2ccccc2cc(C(=O)[O-])c1=O	ZINC000045070099	356372712	/nfs/dbraw/zinc/37/27/12/356372712.db2.gz	UOIFXNMTVKZPQQ-UHFFFAOYSA-N	-2	0	244.202	1.596	50	0		BDAARL
Cc1cc(=O)oc2cc(O)c(CCC(=O)[O-])cc12	ZINC000011764626	370751225	/nfs/dbraw/zinc/75/12/25/370751225.db2.gz	DYXPGFOHADKNAQ-UHFFFAOYSA-N	-2	0	248.234	1.824	50	0	biogenic	BDAARL
C[C@@H]1C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@H]1C	ZINC000008536311	368371113	/nfs/dbraw/zinc/37/11/13/368371113.db2.gz	NSVFQYRNBOFQMT-XUTVFYLZSA-N	-2	0	200.234	1.454	50	0		BDAARL
O=C([O-])c1[n-]c(-c2ccccc2)[nH+]c1C(=O)[O-]	ZINC000000189552	368515803	/nfs/dbraw/zinc/51/58/03/368515803.db2.gz	GTYWKHXMYZVFSU-UHFFFAOYSA-N	-2	0	232.195	1.473	50	0	in-vitro	BDAARL
O=[PH]([O-])[C@@H](C[P@@H](=O)[O-])c1ccccc1	ZINC000018196441	369993625	/nfs/dbraw/zinc/99/36/25/369993625.db2.gz	MHNOFMGKCCXSFD-QMMMGPOBSA-N	-2	0	234.128	1.662	50	0		BDAARL
O=C([O-])CSc1ccccc1C(=O)[O-]	ZINC000000092914	383823765	/nfs/dbraw/zinc/82/37/65/383823765.db2.gz	GMBZSYUPMWCDGK-UHFFFAOYSA-N	-2	0	212.226	1.562	50	0	in-vitro	BDAARL
O=C([O-])c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000100010336	384609361	/nfs/dbraw/zinc/60/93/61/384609361.db2.gz	LRSZONKWTDEUSM-UHFFFAOYSA-N	-2	0	204.185	1.276	50	0		BDAARL
O=C([O-])c1csc([N-]c2ncccn2)n1	ZINC000061957860	385147266	/nfs/dbraw/zinc/14/72/66/385147266.db2.gz	ATSIABWQQQSHQB-UHFFFAOYSA-N	-2	0	222.229	1.375	50	0		BDAARL
O=C([O-])c1ccnc2c(C(=O)[O-])cccc12	ZINC000113045362	411225416	/nfs/dbraw/zinc/22/54/16/411225416.db2.gz	GGYXVKIQINJBMT-UHFFFAOYSA-N	-2	0	217.180	1.631	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CC(=O)[O-]	ZINC000100126716	168135550	/nfs/dbraw/zinc/13/55/50/168135550.db2.gz	JTIDZRGQFNZRIR-JTQLQIEISA-N	-2	0	232.239	1.500	50	0		BDAARL
COc1ccc(C[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000184490	175117319	/nfs/dbraw/zinc/11/73/19/175117319.db2.gz	WASXIGSMDGCLLR-SECBINFHSA-N	-2	0	238.239	1.413	50	0	biogenic	BDAARL
O=C([O-])c1ccc(Nc2nncc(=O)[n-]2)cc1	ZINC000008997302	342806835	/nfs/dbraw/zinc/80/68/35/342806835.db2.gz	QTYMACYWBRSZSL-UHFFFAOYSA-N	-2	0	232.199	1.019	50	0		BDAARL
COc1cc(C(=O)[O-])c(C(=O)[O-])cc1OC	ZINC000001570047	343073592	/nfs/dbraw/zinc/07/35/92/343073592.db2.gz	SKBDLRWFSRLIPP-UHFFFAOYSA-N	-2	0	226.184	1.100	50	0	endogenous,in-man	BDAARL
C[C@H](C(=O)[O-])[C@](C)(C(=O)[O-])c1ccccc1	ZINC000004825705	346608252	/nfs/dbraw/zinc/60/82/52/346608252.db2.gz	ZVAMSWXABJPVQH-PELKAZGASA-N	-2	0	222.240	1.750	50	0		BDAARL
O=S(=O)([O-])c1cc(Cl)c([O-])c(Cl)c1	ZINC000001737176	188274047	/nfs/dbraw/zinc/27/40/47/188274047.db2.gz	PGDCAFRJYQICAY-UHFFFAOYSA-N	-2	0	243.067	1.946	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1ccc(F)cc1	ZINC000001717149	182430948	/nfs/dbraw/zinc/43/09/48/182430948.db2.gz	CNZZQTFKXGQNLI-UHFFFAOYSA-N	-2	0	226.203	1.859	50	0		BDAARL
COc1c(C(=O)[O-])cc(C)cc1C(=O)[O-]	ZINC000071774204	384000942	/nfs/dbraw/zinc/00/09/42/384000942.db2.gz	CNUZJIPDYNRVJH-UHFFFAOYSA-N	-2	0	210.185	1.400	50	0		BDAARL
O=C([O-])CCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000005750374	384128059	/nfs/dbraw/zinc/12/80/59/384128059.db2.gz	IOKXKKSBNJCKOY-UHFFFAOYSA-N	-2	0	237.211	1.188	50	0	biogenic	BDAARL
Cc1nnc(Nc2ccccc2C(=O)[O-])[n-]c1=O	ZINC000005154644	384522700	/nfs/dbraw/zinc/52/27/00/384522700.db2.gz	XOGJDEZHKYGEJB-UHFFFAOYSA-N	-2	0	246.226	1.327	50	0		BDAARL
COc1ccc(/C=C(/CC(=O)[O-])C(=O)[O-])cc1	ZINC000000108984	175046323	/nfs/dbraw/zinc/04/63/23/175046323.db2.gz	HZRZZPNSLQASGS-TWGQIWQCSA-N	-2	0	236.223	1.638	50	0		BDAARL
COc1ccccc1C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000000184494	175332445	/nfs/dbraw/zinc/33/24/45/175332445.db2.gz	FNFQVGGMLXFROD-VIFPVBQESA-N	-2	0	238.239	1.413	50	0	biogenic	BDAARL
C[C@@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000000333419	176019183	/nfs/dbraw/zinc/01/91/83/176019183.db2.gz	AHWJRDQVJRKCPR-ZETCQYMHSA-N	-2	0	208.213	1.576	50	0		BDAARL
O=C([O-])c1c(F)c(F)c(C(=O)[O-])c(F)c1F	ZINC000000056396	342671964	/nfs/dbraw/zinc/67/19/64/342671964.db2.gz	WFNRNCNCXRGUKN-UHFFFAOYSA-N	-2	0	238.092	1.639	50	0		BDAARL
O=C([O-])c1ccc(Br)cc1C(=O)[O-]	ZINC000001571173	342703749	/nfs/dbraw/zinc/70/37/49/342703749.db2.gz	AZXKGUVDIORSED-UHFFFAOYSA-N	-2	0	245.028	1.846	50	0		BDAARL
O=C([O-])c1cc(Cl)cc(C(=O)[O-])c1	ZINC000001841397	342712821	/nfs/dbraw/zinc/71/28/21/342712821.db2.gz	PLPFTLXIQQYOMW-UHFFFAOYSA-N	-2	0	200.577	1.736	50	0		BDAARL
O=C([O-])C12CC3CC(C1)CC(C(=O)[O-])(C3)C2	ZINC000003096570	342730214	/nfs/dbraw/zinc/73/02/14/342730214.db2.gz	PAVQGHWQOQZQEH-UHFFFAOYSA-N	-2	0	224.256	1.742	50	0		BDAARL
O=C([O-])c1cc([S@@](=O)[O-])c(F)cc1F	ZINC000039186715	538968959	/nfs/dbraw/zinc/96/89/59/538968959.db2.gz	HLYBFUYYTYPSFG-UHFFFAOYSA-N	-2	0	222.168	1.244	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)[O-]	ZINC000006796077	342783362	/nfs/dbraw/zinc/78/33/62/342783362.db2.gz	XKTHNGDXNWGAJR-UHFFFAOYSA-N	-2	0	246.266	1.491	50	0		BDAARL
CC(C)C1=CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000004863043	344747066	/nfs/dbraw/zinc/74/70/66/344747066.db2.gz	OAKIBDGEEQFWHU-IUCAKERBSA-N	-2	0	212.245	1.764	50	0		BDAARL
C[C@H](C(=O)[O-])[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000004825708	346608079	/nfs/dbraw/zinc/60/80/79/346608079.db2.gz	ZVAMSWXABJPVQH-PRHODGIISA-N	-2	0	222.240	1.750	50	0		BDAARL
Cn1c2ccccc2c(CC(=O)[O-])c1C(=O)[O-]	ZINC000000013230	180614926	/nfs/dbraw/zinc/61/49/26/180614926.db2.gz	JOKUEFCTYPOURQ-UHFFFAOYSA-N	-2	0	233.223	1.504	50	0		BDAARL
CC(=C\C(=O)[O-])/C(=C\c1ccco1)C(=O)[O-]	ZINC000033285187	187666503	/nfs/dbraw/zinc/66/65/03/187666503.db2.gz	GMACEYJBIPRXGU-PDTNFJSOSA-N	-2	0	222.196	1.779	50	0		BDAARL
CC(C)(C)[C@H](CCC(=O)[O-])CC(=O)[O-]	ZINC000001605930	188273919	/nfs/dbraw/zinc/27/39/19/188273919.db2.gz	LHSCNQRBIIDZCB-SSDOTTSWSA-N	-2	0	202.250	1.988	50	0		BDAARL
O=C([O-])c1cc(Cl)cc(C(=O)[O-])c1O	ZINC000044199084	182554332	/nfs/dbraw/zinc/55/43/32/182554332.db2.gz	DCLNMNSLIOUGNJ-UHFFFAOYSA-N	-2	0	216.576	1.442	50	0		BDAARL
O=C([O-])c1cc2c(cc1C(=O)[O-])CCCC2	ZINC000071773441	384000109	/nfs/dbraw/zinc/00/01/09/384000109.db2.gz	CRVQVKSLRXYHDH-UHFFFAOYSA-N	-2	0	220.224	1.962	50	0		BDAARL
CCc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000039102362	385680459	/nfs/dbraw/zinc/68/04/59/385680459.db2.gz	MPAOWPAATTZDQI-JTQLQIEISA-N	-2	0	222.240	1.892	50	0		BDAARL
O=C([O-])CCCCCC(=O)CCCC(=O)[O-]	ZINC000003074815	387247259	/nfs/dbraw/zinc/24/72/59/387247259.db2.gz	MEEMMABYFKSQGY-UHFFFAOYSA-N	-2	0	230.260	1.846	50	0		BDAARL
COc1ccc(C(=O)[O-])c(C(=O)[O-])c1OC	ZINC000004972521	175064501	/nfs/dbraw/zinc/06/45/01/175064501.db2.gz	QSWJYWSRUJSAFH-UHFFFAOYSA-N	-2	0	226.184	1.100	50	0	endogenous,in-man	BDAARL
C[Si](C)(CCC(=O)[O-])CCC(=O)[O-]	ZINC000169814504	711783832	/nfs/dbraw/zinc/78/38/32/711783832.db2.gz	GBWOXZNEMWSIQQ-UHFFFAOYSA-N	-2	0	204.298	1.644	50	0		BDAARL
O=C([O-])C(C/C=C\c1ccccc1)C(=O)[O-]	ZINC000199461849	398192996	/nfs/dbraw/zinc/19/29/96/398192996.db2.gz	ACMBWQZDJBIYPJ-DAXSKMNVSA-N	-2	0	220.224	1.875	50	0		BDAARL
O=C([O-])c1ccnc(Cl)c1C(=O)[O-]	ZINC000002244263	342717321	/nfs/dbraw/zinc/71/73/21/342717321.db2.gz	IFFHNAPSEFZPIR-UHFFFAOYSA-N	-2	0	201.565	1.131	50	0		BDAARL
O=C([O-])c1coc(C(F)(F)F)c1C(=O)[O-]	ZINC000004228064	342744826	/nfs/dbraw/zinc/74/48/26/342744826.db2.gz	CQSHGAIMGIZGHB-UHFFFAOYSA-N	-2	0	224.090	1.695	50	0		BDAARL
CCOP(=O)([O-])O[P@](=O)([O-])OCC	ZINC000005463312	342764228	/nfs/dbraw/zinc/76/42/28/342764228.db2.gz	RUZMUTWCUZLWQU-UHFFFAOYSA-N	-2	0	234.081	1.277	50	0		BDAARL
O=C([O-])C12CCCC(C(=O)[O-])(CCC1)C2	ZINC000000136307	344562748	/nfs/dbraw/zinc/56/27/48/344562748.db2.gz	KUBJDQUNHZDRBS-UHFFFAOYSA-N	-2	0	212.245	1.886	50	0		BDAARL
Cc1[n-]n(-c2cccc(C(=O)[O-])c2)c(=O)c1C	ZINC000005000138	180328591	/nfs/dbraw/zinc/32/85/91/180328591.db2.gz	ZFXYTWLBGVQXJY-UHFFFAOYSA-N	-2	0	232.239	1.893	50	0		BDAARL
O=C([O-])c1cc(F)c(F)c([S@](=O)[O-])c1	ZINC000675061578	538487770	/nfs/dbraw/zinc/48/77/70/538487770.db2.gz	JVSCHXPGUMEDTC-UHFFFAOYSA-N	-2	0	222.168	1.244	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccccc1O	ZINC000000164271	182482309	/nfs/dbraw/zinc/48/23/09/182482309.db2.gz	IIHNNMHVDJWLMG-ZETCQYMHSA-N	-2	0	210.185	1.035	50	0		BDAARL
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)[O-]	ZINC000012769722	384334302	/nfs/dbraw/zinc/33/43/02/384334302.db2.gz	CQQUJYBDIREBBN-UHFFFAOYSA-N	-2	0	210.233	1.074	50	0		BDAARL
O=C([O-])C[C@@H](Cc1cccs1)C(=O)[O-]	ZINC000004419532	384979614	/nfs/dbraw/zinc/97/96/14/384979614.db2.gz	KQWBRBJXKFJNJT-ZCFIWIBFSA-N	-2	0	214.242	1.466	50	0		BDAARL
O=C([O-])[C@@H](Cc1ccccc1)[P@@H](=O)[O-]	ZINC000018196435	384985791	/nfs/dbraw/zinc/98/57/91/384985791.db2.gz	SXOGJOZEBICRIY-MRVPVSSYSA-N	-2	0	214.157	1.149	50	0		BDAARL
O=C([O-])c1[n-][nH]c(=O)c1-c1ccccc1	ZINC000031775869	385102544	/nfs/dbraw/zinc/10/25/44/385102544.db2.gz	XFJKNSKUUNJAIV-UHFFFAOYSA-N	-2	0	204.185	1.481	50	0		BDAARL
O=C([O-])C(=C/C=C/c1ccccc1)C(=O)[O-]	ZINC000000340393	397914552	/nfs/dbraw/zinc/91/45/52/397914552.db2.gz	BLPUXJIIRIWMSQ-QPJJXVBHSA-N	-2	0	218.208	1.795	50	0		BDAARL
COc1ccc(/C=C(\CC(=O)[O-])C(=O)[O-])cc1	ZINC000012369023	175046721	/nfs/dbraw/zinc/04/67/21/175046721.db2.gz	HZRZZPNSLQASGS-RMKNXTFCSA-N	-2	0	236.223	1.638	50	0		BDAARL
COc1ccc(CC(=O)[O-])c(C(=O)[O-])c1	ZINC000003124792	175087710	/nfs/dbraw/zinc/08/77/10/175087710.db2.gz	TUJHFMJYEXSKLS-UHFFFAOYSA-N	-2	0	210.185	1.021	50	0		BDAARL
COc1ccccc1[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000041243876	175346277	/nfs/dbraw/zinc/34/62/77/175346277.db2.gz	HKZGQIHZFKTWPN-MRVPVSSYSA-N	-2	0	224.212	1.338	50	0		BDAARL
C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1	ZINC000004797968	175626314	/nfs/dbraw/zinc/62/63/14/175626314.db2.gz	MLAWEKSPGNGPNZ-VXNVDRBHSA-N	-2	0	208.213	1.576	50	0		BDAARL
C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000004728585	177040023	/nfs/dbraw/zinc/04/00/23/177040023.db2.gz	FDXVETHETURZLC-PSASIEDQSA-N	-2	0	222.240	1.966	50	0		BDAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]1[C@H]4[C@@H]23	ZINC000247379298	323239018	/nfs/dbraw/zinc/23/90/18/323239018.db2.gz	IWODBGOLHQAYHC-CPZRQDORSA-N	-2	0	246.262	1.252	50	0		BDAARL
O=C([O-])c1ccc(-c2nc(Cl)n[nH]2)cc1	ZINC000040162983	343397468	/nfs/dbraw/zinc/39/74/68/343397468.db2.gz	FXHPTDNLKRJKAB-UHFFFAOYSA-N	-2	0	223.619	1.823	50	0		BDAARL
O=C([O-])c1cn(-c2ccccc2)cc1C(=O)[O-]	ZINC000000345300	345427717	/nfs/dbraw/zinc/42/77/17/345427717.db2.gz	RSUIATVZYHTVTK-UHFFFAOYSA-N	-2	0	231.207	1.874	50	0		BDAARL
C[C@@H](C(=O)[O-])[C@](C)(C(=O)[O-])c1ccccc1	ZINC000004825702	346608032	/nfs/dbraw/zinc/60/80/32/346608032.db2.gz	ZVAMSWXABJPVQH-UFBFGSQYSA-N	-2	0	222.240	1.750	50	0		BDAARL
C=C(CSCC(=C)C(=O)[O-])C(=O)[O-]	ZINC000075280232	356938710	/nfs/dbraw/zinc/93/87/10/356938710.db2.gz	QTPKWJPFIZKYON-UHFFFAOYSA-N	-2	0	202.231	1.001	50	0		BDAARL
O=C([O-])CCCOc1cccc(C(=O)[O-])c1	ZINC000096288856	182441135	/nfs/dbraw/zinc/44/11/35/182441135.db2.gz	RPVHGNYLEPVHGD-UHFFFAOYSA-N	-2	0	224.212	1.628	50	0		BDAARL
S=C([S-])N1CCN(C(=S)[S-])CC1	ZINC000001691707	183312484	/nfs/dbraw/zinc/31/24/84/183312484.db2.gz	PNKGVPLMWAEASD-UHFFFAOYSA-N	-2	0	238.428	1.033	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1ccccc1	ZINC000000406946	383866736	/nfs/dbraw/zinc/86/67/36/383866736.db2.gz	RZOKZOYSUCSPDF-UHFFFAOYSA-N	-2	0	208.213	1.720	50	0		BDAARL
CC(=O)c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC000005008559	384370564	/nfs/dbraw/zinc/37/05/64/384370564.db2.gz	BMASXPRYFCKHKK-UHFFFAOYSA-N	-2	0	208.169	1.286	50	0		BDAARL
O=C([O-])CCC(=O)C=C([O-])c1ccccc1	ZINC000100009416	384608524	/nfs/dbraw/zinc/60/85/24/384608524.db2.gz	RYHMWKGXNUBZPO-UHFFFAOYSA-N	-2	0	220.224	1.693	50	0		BDAARL
O=C([O-])CCC1CC(CCC(=O)[O-])C1	ZINC000034180451	387119909	/nfs/dbraw/zinc/11/99/09/387119909.db2.gz	TYFMEVVSSPVMKW-UHFFFAOYSA-N	-2	0	200.234	1.742	50	0		BDAARL
COc1ccc(C[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000003881495	175115673	/nfs/dbraw/zinc/11/56/73/175115673.db2.gz	WASXIGSMDGCLLR-VIFPVBQESA-N	-2	0	238.239	1.413	50	0	biogenic	BDAARL
Cn1cc([C@H](CC(=O)[O-])C(=O)[O-])c2ccccc21	ZINC000003999634	342740573	/nfs/dbraw/zinc/74/05/73/342740573.db2.gz	ZJEBCRUNWSUUJA-VIFPVBQESA-N	-2	0	247.250	1.821	50	0	biogenic	BDAARL
Cc1oc(CS[C@H](C)C(=O)[O-])cc1C(=O)[O-]	ZINC000003085938	342730231	/nfs/dbraw/zinc/73/02/31/342730231.db2.gz	NVRHOBGMYIUYOL-ZCFIWIBFSA-N	-2	0	244.268	1.993	50	0		BDAARL
O=C([O-])c1cccc(C(=O)[O-])c1Cl	ZINC000006750304	342782225	/nfs/dbraw/zinc/78/22/25/342782225.db2.gz	NJKVZDOEWYNQIO-UHFFFAOYSA-N	-2	0	200.577	1.736	50	0		BDAARL
CC(C)c1ccccc1P(=O)([O-])[O-]	ZINC000003086396	343214887	/nfs/dbraw/zinc/21/48/87/343214887.db2.gz	OLNXBQUOWIYBEV-UHFFFAOYSA-N	-2	0	200.174	1.613	50	0		BDAARL
O=C([O-])c1cn(Cc2ccccc2)cc1C(=O)[O-]	ZINC000039348943	343388653	/nfs/dbraw/zinc/38/86/53/343388653.db2.gz	JIDODOMERXIGRG-UHFFFAOYSA-N	-2	0	245.234	1.933	50	0		BDAARL
Cc1ccccc1[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000016974787	179323676	/nfs/dbraw/zinc/32/36/76/179323676.db2.gz	OXRKFXXTOLGIMG-SECBINFHSA-N	-2	0	208.213	1.638	50	0		BDAARL
CC(=C/C(=O)[O-])/C(=C\c1cccnc1)C(=O)[O-]	ZINC000005183442	188457922	/nfs/dbraw/zinc/45/79/22/188457922.db2.gz	ZCEHWVZTWVHJOZ-YBMVAOSUSA-N	-2	0	233.223	1.581	50	0		BDAARL
O=C([O-])C[C@H](CCc1ccsc1)C(=O)[O-]	ZINC000075279424	356937673	/nfs/dbraw/zinc/93/76/73/356937673.db2.gz	CLYKVGYDCVYZFW-QMMMGPOBSA-N	-2	0	228.269	1.856	50	0		BDAARL
O=C([O-])CC(COc1ccccc1)CC(=O)[O-]	ZINC000004181822	182430952	/nfs/dbraw/zinc/43/09/52/182430952.db2.gz	KOHHJAFGFNVRLP-UHFFFAOYSA-N	-2	0	238.239	1.631	50	0		BDAARL
O=C([O-])c1sc(=S)sc1C(=O)[O-]	ZINC000001620243	182598534	/nfs/dbraw/zinc/59/85/34/182598534.db2.gz	NFYIRCUKUZTKNI-UHFFFAOYSA-N	-2	0	222.268	1.935	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000000111235	383826708	/nfs/dbraw/zinc/82/67/08/383826708.db2.gz	XNRHEYDUHJREKB-MRVPVSSYSA-N	-2	0	212.176	1.469	50	0		BDAARL
O=C([O-])CCCC1(C(=O)[O-])CCCC1	ZINC000000187002	383841231	/nfs/dbraw/zinc/84/12/31/383841231.db2.gz	DTDTXONWPPWOIN-UHFFFAOYSA-N	-2	0	200.234	1.886	50	0		BDAARL
C[C@@H]1[C@@H](C(=O)[O-])C[C@H](C(=O)[O-])C1(C)C	ZINC000003995848	384036237	/nfs/dbraw/zinc/03/62/37/384036237.db2.gz	VWSICSGXUBUSMN-DSYKOEDSSA-N	-2	0	200.234	1.454	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1cccc(F)c1	ZINC000044122578	384313361	/nfs/dbraw/zinc/31/33/61/384313361.db2.gz	FCGFKFCICBDDMH-QMMMGPOBSA-N	-2	0	212.176	1.469	50	0		BDAARL
O=C([O-])CC[P@](=O)([O-])[C@H]1CCCC[C@H]1O	ZINC000004402572	384347222	/nfs/dbraw/zinc/34/72/22/384347222.db2.gz	CVQXBBSODAEBOP-SFYZADRCSA-N	-2	0	236.204	1.035	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cccs1	ZINC000022018389	385281309	/nfs/dbraw/zinc/28/13/09/385281309.db2.gz	VYDKFRVOLSJYBG-RXMQYKEDSA-N	-2	0	200.215	1.391	50	0		BDAARL
O=C([O-])COc1ccc(C(=O)[O-])cc1Cl	ZINC000007604113	385907194	/nfs/dbraw/zinc/90/71/94/385907194.db2.gz	GHSXXTZWAMGRMJ-UHFFFAOYSA-N	-2	0	230.603	1.502	50	0		BDAARL
O=P([O-])([O-])c1ccc(Br)cc1	ZINC000001591863	387040245	/nfs/dbraw/zinc/04/02/45/387040245.db2.gz	XDGIQCFWQNHSMV-UHFFFAOYSA-N	-2	0	236.989	1.252	50	0		BDAARL
O=C([O-])c1ccc(N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000082714083	491111812	/nfs/dbraw/zinc/11/18/12/491111812.db2.gz	QJCGFVZRWYYKDM-JTQLQIEISA-N	-2	0	249.266	1.686	50	0		BDAARL
O=C([O-])c1cc2ccccc2nc1C(=O)[O-]	ZINC000004537814	342748891	/nfs/dbraw/zinc/74/88/91/342748891.db2.gz	YHUVMHKAHWKQBI-UHFFFAOYSA-N	-2	0	217.180	1.631	50	0		BDAARL
CC(C)(SCC(=O)[O-])SCC(=O)[O-]	ZINC000005481621	342764590	/nfs/dbraw/zinc/76/45/90/342764590.db2.gz	CAYIJDHBFNCNOL-UHFFFAOYSA-N	-2	0	224.303	1.358	50	0		BDAARL
Nc1ccc(C(=O)[O-])cc1CCCC(=O)[O-]	ZINC000036379513	343317088	/nfs/dbraw/zinc/31/70/88/343317088.db2.gz	QZDRDYKVUQDJIT-UHFFFAOYSA-N	-2	0	223.228	1.374	50	0		BDAARL
O=C([O-])CC[C@@]1(CC(=O)[O-])CCCC(=O)C1	ZINC000043198719	323236703	/nfs/dbraw/zinc/23/67/03/323236703.db2.gz	QRQDKZDAGNETMC-NSHDSACASA-N	-2	0	228.244	1.455	50	0		BDAARL
O=C([O-])c1c(F)ccc([S@](=O)[O-])c1F	ZINC000166478951	538894144	/nfs/dbraw/zinc/89/41/44/538894144.db2.gz	OKTFFTWSOGVGSP-UHFFFAOYSA-N	-2	0	222.168	1.244	50	0		BDAARL
O=C([O-])CCc1ccc([S@@](=O)[O-])cc1	ZINC000196841894	541514544	/nfs/dbraw/zinc/51/45/44/541514544.db2.gz	GLRBEGLMZKCBML-UHFFFAOYSA-N	-2	0	214.242	1.284	50	0		BDAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000000111238	383828073	/nfs/dbraw/zinc/82/80/73/383828073.db2.gz	XNRHEYDUHJREKB-QMMMGPOBSA-N	-2	0	212.176	1.469	50	0		BDAARL
CC(CC(=O)[O-])(CC(=O)[O-])c1ccccc1	ZINC000001682368	383923592	/nfs/dbraw/zinc/92/35/92/383923592.db2.gz	LEHVKCUBJITYCL-UHFFFAOYSA-N	-2	0	222.240	1.894	50	0	in-vitro	BDAARL
O=C([O-])CCC(=O)Nc1ccccc1[S-]	ZINC000004832602	385017358	/nfs/dbraw/zinc/01/73/58/385017358.db2.gz	UZZSFRKCRCKMBV-UHFFFAOYSA-N	-2	0	225.269	1.779	50	0		BDAARL
O=C([O-])CCCNc1ccc(C(=O)[O-])cc1	ZINC000029215197	397993687	/nfs/dbraw/zinc/99/36/87/397993687.db2.gz	PJLWLUKAGLDSHV-UHFFFAOYSA-N	-2	0	223.228	1.662	50	0		BDAARL
COc1ccccc1C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000004023342	175333877	/nfs/dbraw/zinc/33/38/77/175333877.db2.gz	FNFQVGGMLXFROD-SECBINFHSA-N	-2	0	238.239	1.413	50	0	biogenic	BDAARL
O=C([O-])[C@H]1[C@@H]2C=C[C@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]1[C@H]4[C@@H]23	ZINC000247379305	323239015	/nfs/dbraw/zinc/23/90/15/323239015.db2.gz	IWODBGOLHQAYHC-KTDUUTKOSA-N	-2	0	246.262	1.252	50	0		BDAARL
O=C([O-])c1cccn1-c1ccccc1C(=O)[O-]	ZINC000000110974	342675103	/nfs/dbraw/zinc/67/51/03/342675103.db2.gz	NRKPDVFOFHNVAS-UHFFFAOYSA-N	-2	0	231.207	1.874	50	0		BDAARL
O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000003135730	342730845	/nfs/dbraw/zinc/73/08/45/342730845.db2.gz	UEDASXCDLXPBGQ-DTWKUNHWSA-N	-2	0	249.222	1.044	50	0		BDAARL
Cc1[nH]c2cc(C(=O)[O-])ccc2c1CC(=O)[O-]	ZINC000004770572	342751796	/nfs/dbraw/zinc/75/17/96/342751796.db2.gz	MUWONNARKADONK-UHFFFAOYSA-N	-2	0	233.223	1.802	50	0		BDAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1CC(=O)[O-]	ZINC000009614601	342821984	/nfs/dbraw/zinc/82/19/84/342821984.db2.gz	CFZCVUCORZBGAZ-UHFFFAOYSA-N	-2	0	232.239	1.101	50	0		BDAARL
O=C([O-])c1ccc(Br)c(C(=O)[O-])n1	ZINC000006472775	363097382	/nfs/dbraw/zinc/09/73/82/363097382.db2.gz	IKHJUSWVJKICAT-UHFFFAOYSA-N	-2	0	246.016	1.241	50	0		BDAARL
O=C([O-])CSc1n[nH]c(-c2cccs2)n1	ZINC000000131386	383830083	/nfs/dbraw/zinc/83/00/83/383830083.db2.gz	MAZQOFWUNXOPKQ-UHFFFAOYSA-N	-2	0	241.297	1.710	50	0		BDAARL
O=C([O-])C(Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000002505297	383967565	/nfs/dbraw/zinc/96/75/65/383967565.db2.gz	QNZGBKFZLKIUPN-UHFFFAOYSA-N	-2	0	228.631	1.668	50	0		BDAARL
O=C([O-])C[C@]1(C(=O)[O-])CC(F)(F)C1(F)F	ZINC000003886849	384032040	/nfs/dbraw/zinc/03/20/40/384032040.db2.gz	YPKRJRDYSVNZCP-RXMQYKEDSA-N	-2	0	230.113	1.206	50	0		BDAARL
CC(=C/C(=O)[O-])/C(=C\c1ccncc1)C(=O)[O-]	ZINC000005183460	384106021	/nfs/dbraw/zinc/10/60/21/384106021.db2.gz	VMOTXUYWTLORON-GOOBONSCSA-N	-2	0	233.223	1.581	50	0		BDAARL
O=C([O-])CC[P@](=O)([O-])Cc1ccccc1	ZINC000020029452	384568872	/nfs/dbraw/zinc/56/88/72/384568872.db2.gz	OUEJIBBACCBWBX-UHFFFAOYSA-N	-2	0	228.184	1.932	50	0		BDAARL
O=C([O-])CC[P@](=O)([O-])[C@@H]1CCCC[C@H]1O	ZINC000004837165	385009674	/nfs/dbraw/zinc/00/96/74/385009674.db2.gz	CVQXBBSODAEBOP-HTQZYQBOSA-N	-2	0	236.204	1.035	50	0		BDAARL
COc1cccc(C[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000000249052	175271472	/nfs/dbraw/zinc/27/14/72/175271472.db2.gz	FMZYGPLENOEZAC-SECBINFHSA-N	-2	0	238.239	1.413	50	0		BDAARL
O=C([O-])c1cc(C(=O)[O-])cc(N2CC=CC2)c1	ZINC000113506005	588842616	/nfs/dbraw/zinc/84/26/16/588842616.db2.gz	GLXKBCBDSYYLPF-UHFFFAOYSA-N	-2	0	233.223	1.459	50	0		BDAARL
O=C([O-])C(CC(=O)c1ccsc1)C(=O)[O-]	ZINC000022339159	641204504	/nfs/dbraw/zinc/20/45/04/641204504.db2.gz	JWRZXZNPVJGTLM-UHFFFAOYSA-N	-2	0	228.225	1.106	50	0		BDAARL
CCCCCS[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000002044825	342715314	/nfs/dbraw/zinc/71/53/14/342715314.db2.gz	HQYPQYPNUGRPSM-ZETCQYMHSA-N	-2	0	220.290	1.838	50	0		BDAARL
C[C@@H]1[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])C1(C)C	ZINC000016134055	342907023	/nfs/dbraw/zinc/90/70/23/342907023.db2.gz	VWSICSGXUBUSMN-QYNIQEEDSA-N	-2	0	200.234	1.454	50	0		BDAARL
Cc1cccc(C[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000000249046	179104866	/nfs/dbraw/zinc/10/48/66/179104866.db2.gz	OHQFGTDAUDLCBG-SNVBAGLBSA-N	-2	0	222.240	1.713	50	0	in-vitro	BDAARL
Cc1oc(CS[C@@H](C)C(=O)[O-])cc1C(=O)[O-]	ZINC000003085937	180531526	/nfs/dbraw/zinc/53/15/26/180531526.db2.gz	NVRHOBGMYIUYOL-LURJTMIESA-N	-2	0	244.268	1.993	50	0		BDAARL
O=C([O-])CCc1c2ccccc2[nH]c1C(=O)[O-]	ZINC000000013213	182452812	/nfs/dbraw/zinc/45/28/12/182452812.db2.gz	BYJQAPYDPPKJGH-UHFFFAOYSA-N	-2	0	233.223	1.883	50	0		BDAARL
O=C([O-])CC[P@@](=O)([O-])c1ccccc1	ZINC000035635599	383866016	/nfs/dbraw/zinc/86/60/16/383866016.db2.gz	MORLYCDUFHDZKO-UHFFFAOYSA-N	-2	0	214.157	1.057	50	0		BDAARL
O=C([O-])C[C@@]1(C(=O)[O-])CC(F)(F)C1(F)F	ZINC000003886848	384030591	/nfs/dbraw/zinc/03/05/91/384030591.db2.gz	YPKRJRDYSVNZCP-YFKPBYRVSA-N	-2	0	230.113	1.206	50	0		BDAARL
O=C([O-])/C=C(\Oc1ccccc1Cl)C(=O)[O-]	ZINC000004649467	384071958	/nfs/dbraw/zinc/07/19/58/384071958.db2.gz	PGNXFAPJRFCCPP-YVMONPNESA-N	-2	0	242.614	1.772	50	0		BDAARL
O=C([O-])Cc1csc([N-]c2ncccn2)n1	ZINC000042379503	384215751	/nfs/dbraw/zinc/21/57/51/384215751.db2.gz	UFBPFVSHWCAGIQ-UHFFFAOYSA-N	-2	0	236.256	1.304	50	0		BDAARL
O=C([O-])C(=O)c1ccc(Br)cc1[O-]	ZINC000047843821	384467476	/nfs/dbraw/zinc/46/74/76/384467476.db2.gz	ZEVSDILNYWGVMN-UHFFFAOYSA-N	-2	0	245.028	1.422	50	0		BDAARL
CC1=CC(C)(C)[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000000054323	168093301	/nfs/dbraw/zinc/09/33/01/168093301.db2.gz	FXRAOARZHSCPPN-YUMQZZPRSA-N	-2	0	212.245	1.764	50	0		BDAARL
COc1cc(C)c(C(=O)[O-])c(C(=O)[O-])c1	ZINC000005277025	174954100	/nfs/dbraw/zinc/95/41/00/174954100.db2.gz	BKAJJSXMMCAGJS-UHFFFAOYSA-N	-2	0	210.185	1.400	50	0		BDAARL
C[C@@H](SCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000002510198	177026814	/nfs/dbraw/zinc/02/68/14/177026814.db2.gz	MWRZTYMWLMGRRT-SYDPRGILSA-N	-2	0	224.303	1.357	50	0		BDAARL
C[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000013464343	177355070	/nfs/dbraw/zinc/35/50/70/177355070.db2.gz	NSVFQYRNBOFQMT-YWIQKCBGSA-N	-2	0	200.234	1.454	50	0		BDAARL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]12	ZINC000060138439	343716109	/nfs/dbraw/zinc/71/61/09/343716109.db2.gz	FEMXBCRRAJLQAS-YNFQOJQRSA-N	-2	0	226.272	1.988	50	0		BDAARL
CC[C@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000001764734	346211605	/nfs/dbraw/zinc/21/16/05/346211605.db2.gz	DUKXBCXRFUGLTA-SECBINFHSA-N	-2	0	222.240	1.966	50	0		BDAARL
CC12[C@H](C(=O)[O-])C1(c1ccccc1)[C@H]2C(=O)[O-]	ZINC000005048609	187758183	/nfs/dbraw/zinc/75/81/83/187758183.db2.gz	BXHRTRVZIKDPAV-FGRABYKZSA-N	-2	0	232.235	1.360	50	0		BDAARL
O=C([O-])CC(CC(=O)[O-])c1ccsc1	ZINC000036387634	182430991	/nfs/dbraw/zinc/43/09/91/182430991.db2.gz	NDKMKXGFJATBFZ-UHFFFAOYSA-N	-2	0	214.242	1.781	50	0		BDAARL
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(=O)[O-]	ZINC000001847484	383938993	/nfs/dbraw/zinc/93/89/93/383938993.db2.gz	CCUWGJDGLACFQT-UHFFFAOYSA-N	-2	0	240.055	1.062	50	0		BDAARL
O=C([O-])c1c(F)ccc(F)c1C(=O)[O-]	ZINC000002513316	383968111	/nfs/dbraw/zinc/96/81/11/383968111.db2.gz	VFLMWMTWWZGXGA-UHFFFAOYSA-N	-2	0	202.112	1.361	50	0		BDAARL
O=C([O-])CCSc1n[n-]c(=S)s1	ZINC000005822495	384132823	/nfs/dbraw/zinc/13/28/23/384132823.db2.gz	GJIWVACHHXLDQV-UHFFFAOYSA-N	-2	0	222.316	1.767	50	0		BDAARL
O=C([O-])Cc1n[nH]c(=S)n1Cc1ccccc1	ZINC000007777886	384187476	/nfs/dbraw/zinc/18/74/76/384187476.db2.gz	IWYFNJQFRWABIB-UHFFFAOYSA-N	-2	0	249.295	1.616	50	0		BDAARL
O=C([O-])COc1c(F)cc(F)cc1C(=O)[O-]	ZINC000095836229	384402535	/nfs/dbraw/zinc/40/25/35/384402535.db2.gz	JWVWAMXUCGBUPD-UHFFFAOYSA-N	-2	0	232.138	1.126	50	0		BDAARL
Cc1cccc(C[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000000249044	322809280	/nfs/dbraw/zinc/80/92/80/322809280.db2.gz	OHQFGTDAUDLCBG-JTQLQIEISA-N	-2	0	222.240	1.713	50	0	in-vitro	BDAARL
CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]	ZINC000000080850	168004634	/nfs/dbraw/zinc/00/46/34/168004634.db2.gz	LSPHULWDVZXLIL-QUBYGPBYSA-N	-2	0	200.234	1.598	50	0	endogenous,in-man	BDAARL
CCC(C(=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000001681313	168260030	/nfs/dbraw/zinc/26/00/30/168260030.db2.gz	KDEAZJJSARLKAO-UHFFFAOYSA-N	-2	0	208.213	1.504	50	0		BDAARL
O=C([O-])c1cccnc1-c1ncccc1C(=O)[O-]	ZINC000000047217	342671197	/nfs/dbraw/zinc/67/11/97/342671197.db2.gz	KNVZVRWMLMPTTJ-UHFFFAOYSA-N	-2	0	244.206	1.540	50	0		BDAARL
O=C([O-])c1c(F)c(F)c(F)c(C(=O)[O-])c1F	ZINC000000056732	342671866	/nfs/dbraw/zinc/67/18/66/342671866.db2.gz	PGRIMKUYGUHAKH-UHFFFAOYSA-N	-2	0	238.092	1.639	50	0		BDAARL
O=C([O-])c1cc(F)c(C(=O)[O-])cc1F	ZINC000001845854	342712784	/nfs/dbraw/zinc/71/27/84/342712784.db2.gz	LWKOWFVDUSZDRA-UHFFFAOYSA-N	-2	0	202.112	1.361	50	0		BDAARL
O=C([O-])c1cccc(-c2nc(Cl)n[nH]2)c1	ZINC000040162982	343397494	/nfs/dbraw/zinc/39/74/94/343397494.db2.gz	KRNKCMLPKRDEFE-UHFFFAOYSA-N	-2	0	223.619	1.823	50	0		BDAARL
O=C([O-])c1cnc(Br)c([O-])c1	ZINC000040165649	343398009	/nfs/dbraw/zinc/39/80/09/343398009.db2.gz	JGJIXEBLVBJNLJ-UHFFFAOYSA-N	-2	0	218.006	1.248	50	0		BDAARL
Cc1[n-]n(-c2ccccc2C)c(=O)c1CC(=O)[O-]	ZINC000006678540	179242500	/nfs/dbraw/zinc/24/25/00/179242500.db2.gz	RYKGVARMTNLING-UHFFFAOYSA-N	-2	0	246.266	1.822	50	0		BDAARL
Cc1ccc2nc(C(=O)[O-])cc(C(=O)[O-])c2c1	ZINC000000192791	368516162	/nfs/dbraw/zinc/51/61/62/368516162.db2.gz	LWRZYXIASIYEAT-UHFFFAOYSA-N	-2	0	231.207	1.940	50	0		BDAARL
O=C([O-])c1cc(Br)cc(C(=O)[O-])c1	ZINC000000393011	182552299	/nfs/dbraw/zinc/55/22/99/182552299.db2.gz	JATKASGNRMGFSW-UHFFFAOYSA-N	-2	0	245.028	1.846	50	0		BDAARL
O=C([O-])c1ccc(C(F)(F)F)nc1C(=O)[O-]	ZINC000034135911	182564509	/nfs/dbraw/zinc/56/45/09/182564509.db2.gz	LXJKAVDDRGVIQD-UHFFFAOYSA-N	-2	0	235.117	1.497	50	0		BDAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccccc1O	ZINC000000164269	383839176	/nfs/dbraw/zinc/83/91/76/383839176.db2.gz	IIHNNMHVDJWLMG-SSDOTTSWSA-N	-2	0	210.185	1.035	50	0		BDAARL
O=C([O-])CCSc1ncccc1C(=O)[O-]	ZINC000000169543	383839325	/nfs/dbraw/zinc/83/93/25/383839325.db2.gz	BECQKEAJAOJORW-UHFFFAOYSA-N	-2	0	227.241	1.347	50	0		BDAARL
O=C([O-])CSCc1ccc(C(=O)[O-])o1	ZINC000000177196	383840982	/nfs/dbraw/zinc/84/09/82/383840982.db2.gz	UDBZYJKNBFOHTQ-UHFFFAOYSA-N	-2	0	216.214	1.296	50	0		BDAARL
O=C([O-])CCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000000216961	383844107	/nfs/dbraw/zinc/84/41/07/383844107.db2.gz	IKRKGFIXYILHIJ-UHFFFAOYSA-N	-2	0	237.211	1.188	50	0	biogenic,in-vivo	BDAARL
O=P([O-])([O-])Oc1c[nH]c2ccccc12	ZINC000002019439	383944418	/nfs/dbraw/zinc/94/44/18/383944418.db2.gz	JTNGEYANGCBZLK-UHFFFAOYSA-N	-2	0	213.129	1.639	50	0	in-vitro	BDAARL
O=C([O-])C(C(=O)[O-])[C@H]1CCc2ccccc21	ZINC000038548921	384086671	/nfs/dbraw/zinc/08/66/71/384086671.db2.gz	HTVUUKAYJQDTHI-VIFPVBQESA-N	-2	0	220.224	1.502	50	0		BDAARL
O=C([O-])c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000087043338	256859235	/nfs/dbraw/zinc/85/92/35/256859235.db2.gz	YEDRJAMIEMSKQL-UHFFFAOYSA-N	-2	0	237.133	1.156	50	0		BDAARL
CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)[O-]	ZINC000006825043	398087877	/nfs/dbraw/zinc/08/78/77/398087877.db2.gz	HYIKOPKASYDBPK-UHFFFAOYSA-N	-2	0	243.240	1.411	50	0		BDAARL
COc1cccc(/C=C/C=C(C(=O)[O-])C(=O)[O-])c1	ZINC000004503143	175240669	/nfs/dbraw/zinc/24/06/69/175240669.db2.gz	MGLHHXROZCJFQL-HWKANZROSA-N	-2	0	248.234	1.804	50	0		BDAARL
C[C@H](c1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000000333421	177037887	/nfs/dbraw/zinc/03/78/87/177037887.db2.gz	AHWJRDQVJRKCPR-SSDOTTSWSA-N	-2	0	208.213	1.576	50	0		BDAARL
CC(=C\C(=O)[O-])/C(=C/c1ccncc1)C(=O)[O-]	ZINC000004982131	711738099	/nfs/dbraw/zinc/73/80/99/711738099.db2.gz	VMOTXUYWTLORON-ZPNWEIAESA-N	-2	0	233.223	1.581	50	0		BDAARL